2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

C19H17ClF3NO2S — CID 7744050

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO2S/c1-12(25)17(9-13-5-3-2-4-6-13)24-18(26)11-27-14-7-8-16(20)15(10-14)19(21,22)23/h2-8,10,17H,9,11H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyDDWVNNRXLDSDJR-QGZVFWFLSA-N
MW415.86 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 7744050) has the molecular formula C19H17ClF3NO2S and a molecular weight of 415.86 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID7744050
Molecular FormulaC19H17ClF3NO2S
Molecular Weight415.86 g/mol
Exact Mass415.06
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO2S/c1-12(25)17(9-13-5-3-2-4-6-13)24-18(26)11-27-14-7-8-16(20)15(10-14)19(21,22)23/h2-8,10,17H,9,11H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyDDWVNNRXLDSDJR-QGZVFWFLSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8707512
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52972735
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 55465501
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 99779679
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate
CID 18275432
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021
methyl (2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 8541759

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 7744050) is 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is DDWVNNRXLDSDJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17ClF3NO2S/c1-12(25)17(9-13-5-3-2-4-6-13)24-18(26)11-27-14-7-8-16(20)15(10-14)19(21,22)23/h2-8,10,17H,9,11H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 415.86 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7744050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).