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

C19H22N2O2S — CID 18901098

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccccc1C
InChIInChI=1S/C19H22N2O2S/c1-4-18(19(23)21-17-11-6-5-8-13(17)2)24-16-10-7-9-15(12-16)20-14(3)22/h5-12,18H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJVWSNNCVQNZWFK-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.46
Rot. Bonds6

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

2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide (PubChem CID 18901098) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
PubChem CID18901098
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccccc1C
InChIInChI=1S/C19H22N2O2S/c1-4-18(19(23)21-17-11-6-5-8-13(17)2)24-16-10-7-9-15(12-16)20-14(3)22/h5-12,18H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJVWSNNCVQNZWFK-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18906570
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
CID 18901086
2-[[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895710
4-methoxy-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18903690
N-[3-[1-(2,4-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906565
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
CID 18901090
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide
CID 18901133
N-[3-[1-(2,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907430
N-naphthalen-1-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906005
2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
CID 18912315
N-(2-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906014
3-methyl-N-[3-[1-(3-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18906859

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide (CID 18901098) is 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide is CCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide?
The InChIKey is JVWSNNCVQNZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-18(19(23)21-17-11-6-5-8-13(17)2)24-16-10-7-9-15(12-16)20-14(3)22/h5-12,18H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide?
2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide has a molecular weight of 342.46 g/mol, XLogP of 4.46, 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-(2-methylphenyl)butanamide is sourced from PubChem (CID 18901098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).