3-[benzenesulfonyl(benzyl)amino]propanamide

C16H18N2O3S — CID 808580

IUPAC3-[benzenesulfonyl(benzyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c17-16(19)11-12-18(13-14-7-3-1-4-8-14)22(20,21)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,19)
InChIKeyNQDOZFDFYLKTHF-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.75
Rot. Bonds7

About 3-[benzenesulfonyl(benzyl)amino]propanamide

3-[benzenesulfonyl(benzyl)amino]propanamide (PubChem CID 808580) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[benzenesulfonyl(benzyl)amino]propanamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(benzyl)amino]propanamide
PubChem CID808580
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-[benzenesulfonyl(benzyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c17-16(19)11-12-18(13-14-7-3-1-4-8-14)22(20,21)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,19)
InChIKeyNQDOZFDFYLKTHF-UHFFFAOYSA-N
XLogP1.75
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[benzenesulfonyl(benzyl)amino]propanamide 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 3-[benzenesulfonyl(benzyl)amino]propanamide?
The IUPAC name of 3-[benzenesulfonyl(benzyl)amino]propanamide (CID 808580) is 3-[benzenesulfonyl(benzyl)amino]propanamide.
What is the SMILES notation for 3-[benzenesulfonyl(benzyl)amino]propanamide?
The canonical SMILES for 3-[benzenesulfonyl(benzyl)amino]propanamide is NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[benzenesulfonyl(benzyl)amino]propanamide?
The InChIKey is NQDOZFDFYLKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-16(19)11-12-18(13-14-7-3-1-4-8-14)22(20,21)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,19).
What are the key properties of 3-[benzenesulfonyl(benzyl)amino]propanamide?
3-[benzenesulfonyl(benzyl)amino]propanamide has a molecular weight of 318.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(benzyl)amino]propanamide is sourced from PubChem (CID 808580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).