(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide

C20H24ClNOS — CID 28631748

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1
InChIInChI=1S/C20H24ClNOS/c1-4-18(15-8-6-14(3)7-9-15)22-20(23)19(5-2)24-17-12-10-16(21)11-13-17/h6-13,18-19H,4-5H2,1-3H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyDTRSFYDGWCQNLS-MOPGFXCFSA-N
MW361.94 g/mol
LogP5.79
Rot. Bonds7

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide (PubChem CID 28631748) 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-(4-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
PubChem CID28631748
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1
InChIInChI=1S/C20H24ClNOS/c1-4-18(15-8-6-14(3)7-9-15)22-20(23)19(5-2)24-17-12-10-16(21)11-13-17/h6-13,18-19H,4-5H2,1-3H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyDTRSFYDGWCQNLS-MOPGFXCFSA-N
XLogP5.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.94
LogP ≤ 55.79
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
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28565969
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 28635758
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
CID 99999779
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide (CID 28631748) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide?
The InChIKey is DTRSFYDGWCQNLS-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24ClNOS/c1-4-18(15-8-6-14(3)7-9-15)22-20(23)19(5-2)24-17-12-10-16(21)11-13-17/h6-13,18-19H,4-5H2,1-3H3,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide has a molecular weight of 361.94 g/mol, XLogP of 5.79, 7 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-(4-methylphenyl)propyl]butanamide is sourced from PubChem (CID 28631748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).