2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

C18H19NO2S — CID 94780327

IUPAC2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H19NO2S/c1-12-4-5-13(2)17(10-12)19-18(21)11-22-16-8-6-15(7-9-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCZYSDAZYHNWYJI-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 94780327) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID94780327
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H19NO2S/c1-12-4-5-13(2)17(10-12)19-18(21)11-22-16-8-6-15(7-9-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCZYSDAZYHNWYJI-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
1-(2,5-dimethylphenyl)-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]thiourea
CID 8682794
2-[[4-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785281
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113175635
methyl 4-methyl-3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoate
CID 7402766
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
N-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902750
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 94780327) is 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is CC(=O)c1ccc(SCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is CZYSDAZYHNWYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-12-4-5-13(2)17(10-12)19-18(21)11-22-16-8-6-15(7-9-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 94780327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).