2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide

C17H18N2O2S — CID 126190550

IUPAC2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H18N2O2S/c1-12-7-3-4-8-14(12)19-17(21)11-22-16-10-6-5-9-15(16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWUQCJMNXUQDKFF-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.68
Rot. Bonds5

About 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide

2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 126190550) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID126190550
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H18N2O2S/c1-12-7-3-4-8-14(12)19-17(21)11-22-16-10-6-5-9-15(16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWUQCJMNXUQDKFF-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide
CID 1211083
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 55899537

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide (CID 126190550) is 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide is CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is WUQCJMNXUQDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-7-3-4-8-14(12)19-17(21)11-22-16-10-6-5-9-15(16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 126190550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).