N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H13ClF3NO2S — CID 7363976

IUPACN-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NO2S/c1-10(23)12-4-2-3-5-15(12)22-16(24)9-25-11-6-7-14(18)13(8-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyOADJARPBYDRIES-UHFFFAOYSA-N
MW387.81 g/mol
LogP5.29
Rot. Bonds5

About N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 7363976) has the molecular formula C17H13ClF3NO2S and a molecular weight of 387.81 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID7363976
Molecular FormulaC17H13ClF3NO2S
Molecular Weight387.81 g/mol
Exact Mass387.03
IUPAC NameN-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NO2S/c1-10(23)12-4-2-3-5-15(12)22-16(24)9-25-11-6-7-14(18)13(8-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyOADJARPBYDRIES-UHFFFAOYSA-N
XLogP5.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.81
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4847268
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 2561582
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7744050
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
N-(2-acetylphenyl)-2-[2-chloro-4-(trifluoromethyl)anilino]acetamide
CID 55444935
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52972735
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
3-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanophenyl)propanamide
CID 112812080
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16514536
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 7363976) is N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is OADJARPBYDRIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO2S/c1-10(23)12-4-2-3-5-15(12)22-16(24)9-25-11-6-7-14(18)13(8-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 387.81 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 7363976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).