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Screening compounds

Acetothiolutamide

Also known as (2R)-3-((4-(Acetylamino)phenyl)thio)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide, Propanamide, 3-((4-(acetylamino)phenyl)thio)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-, (2R)-, (2R)-3-(4-acetamidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

CAS 216665-38-2Formula C20H18F3N3O3SMolar mass 437.44 g/mol
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Acetothiolutamide chemical structure, C20H18F3N3O3S, CAS 216665-38-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
216665-38-2
Formula
C20H18F3N3O3S
Molar mass
437.44 g/mol
HS code
293090
Category
Screening compounds

What is Acetothiolutamide?

Plain description, key identifiers and synonyms

Acetothiolutamide is a chemical substance with the molecular formula C20H18F3N3O3S and a molar mass of 437.44 g/mol. Its CAS registry number is 216665-38-2. The IUPAC name is (2R)-3-(4-acetamidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-3-(4-acetamidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CAS number
216665-38-2 CAS number cross-checked
Molecular formula
C20H18F3N3O3S
UNII
SW1TF3RGAH
InChIKey
FEDHYHIWSREKGN-IBGZPJMESA-N
InChI
InChI=1S/C20H18F3N3O3S/c1-12(27)25-14-5-7-16(8-6-14)30-11-19(2,29)18(28)26-15-4-3-13(10-24)17(9-15)20(21,22)23/h3-9,29H,11H2,1-2H3,(H,25,27)(H,26,28)/t19-/m0/s1
Canonical SMILES
CC(=O)Nc1ccc(SCC(C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1
Isomeric SMILES
CC(=O)NC1=CC=C(C=C1)SC[C@@](C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Synonyms

  • (2R)-3-((4-(Acetylamino)phenyl)thio)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide
  • Propanamide, 3-((4-(acetylamino)phenyl)thio)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-, (2R)-
  • (2R)-3-(4-acetamidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
437.44 g/molcalc.
Exact mass
437.1021 Dacalc.
LogP (octanol/water)
4.02calc.
Topological polar surface area
102.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCSc1ccccc1)Nc1ccccc1

O=C(CCSc1ccccc1)Nc1ccccc1

2 rings, 18 atoms.

118 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Acetothiolutamide suppliers

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Acetothiolutamide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Androgens

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Acetothiolutamide is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Acetothiolutamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetothiolutamide, based on the data on this page

What is Acetothiolutamide?

Acetothiolutamide is a chemical substance with the molecular formula C20H18F3N3O3S and a molar mass of 437.44 g/mol. Its CAS registry number is 216665-38-2. The IUPAC name is (2R)-3-(4-acetamidophenyl)sulfanyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide.

What is the CAS number of Acetothiolutamide?

The CAS registry number of Acetothiolutamide is 216665-38-2.

What is the molecular formula and weight of Acetothiolutamide?

The molecular formula of Acetothiolutamide is C20H18F3N3O3S and its molar mass is 437.44 g/mol.

What is Acetothiolutamide used for?

Known uses and roles of Acetothiolutamide include building blocks in research and laboratory, screening compounds in research and laboratory and androgens.

Is Acetothiolutamide hazardous?

No GHS hazard classification for Acetothiolutamide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Acetothiolutamide?

Acetothiolutamide is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetothiolutamide?

Post a free request on CompoundList and suppliers of Acetothiolutamide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Acetothiolutamide?

Suppliers quote Acetothiolutamide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Acetothiolutamide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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