2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide

C23H21N3O4S — CID 41448837

IUPAC2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O4S/c1-2-15-24-23(28)20-13-6-7-14-21(20)25-22(27)17-9-8-10-18(16-17)26-31(29,30)19-11-4-3-5-12-19/h2-14,16,26H,1,15H2,(H,24,28)(H,25,27)
InChIKeyDPSBIPJFKQXIMV-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.66
Rot. Bonds8

About 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide

2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 41448837) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
PubChem CID41448837
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O4S/c1-2-15-24-23(28)20-13-6-7-14-21(20)25-22(27)17-9-8-10-18(16-17)26-31(29,30)19-11-4-3-5-12-19/h2-14,16,26H,1,15H2,(H,24,28)(H,25,27)
InChIKeyDPSBIPJFKQXIMV-UHFFFAOYSA-N
XLogP3.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide 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

2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
2-[[3-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 3761371
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 51230616
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 19062390

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide (CID 41448837) is 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is DPSBIPJFKQXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-2-15-24-23(28)20-13-6-7-14-21(20)25-22(27)17-9-8-10-18(16-17)26-31(29,30)19-11-4-3-5-12-19/h2-14,16,26H,1,15H2,(H,24,28)(H,25,27).
What are the key properties of 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide?
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 435.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 41448837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).