2-[(4-methylphenyl)sulfonyl-propylamino]acetamide

C12H18N2O3S — CID 25484133

IUPAC2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-8-14(9-12(13)15)18(16,17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyDYFRYYHDEOIUBH-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.88
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide

2-[(4-methylphenyl)sulfonyl-propylamino]acetamide (PubChem CID 25484133) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
PubChem CID25484133
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-8-14(9-12(13)15)18(16,17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyDYFRYYHDEOIUBH-UHFFFAOYSA-N
XLogP0.88
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide 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 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide (CID 25484133) is 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide is CCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
The InChIKey is DYFRYYHDEOIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-8-14(9-12(13)15)18(16,17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?
2-[(4-methylphenyl)sulfonyl-propylamino]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 25484133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).