N-(3-acetamidophenyl)-2-sulfanylacetamide

C10H12N2O2S — CID 60650093

IUPACN-(3-acetamidophenyl)-2-sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CS)c1
InChIInChI=1S/C10H12N2O2S/c1-7(13)11-8-3-2-4-9(5-8)12-10(14)6-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyDROZNCNXCWXPOX-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds3

About N-(3-acetamidophenyl)-2-sulfanylacetamide

N-(3-acetamidophenyl)-2-sulfanylacetamide (PubChem CID 60650093) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-sulfanylacetamide
PubChem CID60650093
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(3-acetamidophenyl)-2-sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CS)c1
InChIInChI=1S/C10H12N2O2S/c1-7(13)11-8-3-2-4-9(5-8)12-10(14)6-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyDROZNCNXCWXPOX-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-acetamidophenyl)-2-sulfanylacetamide 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

N-(3-anilinophenyl)-2-sulfanylacetamide
CID 164884048
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
CID 64617559
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
potassium 3-[(2-sulfanylacetyl)amino]benzenesulfonate
CID 88792050

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-sulfanylacetamide (CID 60650093) is N-(3-acetamidophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CS)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-sulfanylacetamide?
The InChIKey is DROZNCNXCWXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7(13)11-8-3-2-4-9(5-8)12-10(14)6-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(3-acetamidophenyl)-2-sulfanylacetamide?
N-(3-acetamidophenyl)-2-sulfanylacetamide has a molecular weight of 224.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 60650093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).