(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

C16H16ClNO2S — CID 9432906

IUPAC(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11(21-15-6-4-3-5-14(15)17)16(19)18-12-7-9-13(20-2)10-8-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyGDDCFADLDSYILC-NSHDSACASA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds5

About (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide

(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide (PubChem CID 9432906) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
PubChem CID9432906
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11(21-15-6-4-3-5-14(15)17)16(19)18-12-7-9-13(20-2)10-8-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyGDDCFADLDSYILC-NSHDSACASA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 55417451
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide (CID 9432906) is (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is GDDCFADLDSYILC-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(21-15-6-4-3-5-14(15)17)16(19)18-12-7-9-13(20-2)10-8-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide?
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 9432906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).