2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide

C19H21ClN2O2S — CID 18901086

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2S/c1-4-18(19(24)22-17-10-14(20)9-8-12(17)2)25-16-7-5-6-15(11-16)21-13(3)23/h5-11,18H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPTYYMEJOIUWLRU-UHFFFAOYSA-N
MW376.91 g/mol
LogP5.12
Rot. Bonds6

About 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide

2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide (PubChem CID 18901086) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
PubChem CID18901086
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2S/c1-4-18(19(24)22-17-10-14(20)9-8-12(17)2)25-16-7-5-6-15(11-16)21-13(3)23/h5-11,18H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPTYYMEJOIUWLRU-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.91
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
CID 18901098
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide
CID 18901133
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
CID 18901090
N-[3-[1-(2,5-dichloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 18907137
N-[3-[1-(2,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907430
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
N-[3-[1-(2,4-dichloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide
CID 18903104
2-methyl-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18906570
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)butanamide
CID 19317273
N-[(Z)-3-[3-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanylanilino]-1-(3-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19309495
2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-methylphenyl)butanamide
CID 18901661

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide (CID 18901086) is 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide is CCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide?
The InChIKey is PTYYMEJOIUWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-4-18(19(24)22-17-10-14(20)9-8-12(17)2)25-16-7-5-6-15(11-16)21-13(3)23/h5-11,18H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide?
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide has a molecular weight of 376.91 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 18901086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).