N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide

C13H17NO2S — CID 677408

IUPACN-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSC(C)C)cc1
InChIInChI=1S/C13H17NO2S/c1-9(2)17-8-13(16)14-12-6-4-11(5-7-12)10(3)15/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyXIJWPRKMKKQMTP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.97
Rot. Bonds5

About N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide

N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 677408) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide
PubChem CID677408
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSC(C)C)cc1
InChIInChI=1S/C13H17NO2S/c1-9(2)17-8-13(16)14-12-6-4-11(5-7-12)10(3)15/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyXIJWPRKMKKQMTP-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide (CID 677408) is N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide is CC(=O)c1ccc(NC(=O)CSC(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is XIJWPRKMKKQMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(2)17-8-13(16)14-12-6-4-11(5-7-12)10(3)15/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide?
N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 677408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).