(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide

C20H24ClNOS — CID 99999779

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24ClNOS/c1-5-19(16-7-6-13(2)14(3)12-16)22-20(23)15(4)24-18-10-8-17(21)9-11-18/h6-12,15,19H,5H2,1-4H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyFTQRGKUXFIONCX-HNAYVOBHSA-N
MW361.94 g/mol
LogP5.70
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide (PubChem CID 99999779) has the molecular formula C20H24ClNOS and a molecular weight of 361.94 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
PubChem CID99999779
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24ClNOS/c1-5-19(16-7-6-13(2)14(3)12-16)22-20(23)15(4)24-18-10-8-17(21)9-11-18/h6-12,15,19H,5H2,1-4H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyFTQRGKUXFIONCX-HNAYVOBHSA-N
XLogP5.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.94
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132656541
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506394
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 28631748
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019240
2-(4-chlorophenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 46771833
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94011925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide (CID 99999779) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide is CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide?
The InChIKey is FTQRGKUXFIONCX-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H24ClNOS/c1-5-19(16-7-6-13(2)14(3)12-16)22-20(23)15(4)24-18-10-8-17(21)9-11-18/h6-12,15,19H,5H2,1-4H3,(H,22,23)/t15-,19+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide has a molecular weight of 361.94 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide is sourced from PubChem (CID 99999779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).