(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide

C17H17ClN2O2S — CID 7731462

IUPAC(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
SMILESC[C@@H](SCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O2S/c1-12(17(22)20-14-5-3-2-4-6-14)23-11-16(21)19-15-9-7-13(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyPTSGBLUQECQMTK-GFCCVEGCSA-N
MW348.86 g/mol
LogP4.04
Rot. Bonds6

About (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide

(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide (PubChem CID 7731462) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
PubChem CID7731462
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
SMILESC[C@@H](SCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O2S/c1-12(17(22)20-14-5-3-2-4-6-14)23-11-16(21)19-15-9-7-13(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyPTSGBLUQECQMTK-GFCCVEGCSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide
CID 44639776
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
methyl (2S)-2-(2-anilino-2-oxoethyl)sulfanylpropanoate
CID 124506827
(2R)-N-[(4-chlorophenyl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8008968
(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 8762275
N-(2,5-dichlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639281
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide (CID 7731462) is (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide is C[C@@H](SCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
The InChIKey is PTSGBLUQECQMTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12(17(22)20-14-5-3-2-4-6-14)23-11-16(21)19-15-9-7-13(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide has a molecular weight of 348.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 7731462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).