3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide

C24H24N2O4S — CID 55776645

IUPAC3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O4S/c1-2-14-25-23(27)20-10-7-11-21(16-20)26-24(28)19-9-6-8-18(15-19)17-31(29,30)22-12-4-3-5-13-22/h3-13,15-16H,2,14,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyLJLBZKYHHCUFSM-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.05
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide

3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide (PubChem CID 55776645) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
PubChem CID55776645
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O4S/c1-2-14-25-23(27)20-10-7-11-21(16-20)26-24(28)19-9-6-8-18(15-19)17-31(29,30)22-12-4-3-5-13-22/h3-13,15-16H,2,14,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyLJLBZKYHHCUFSM-UHFFFAOYSA-N
XLogP4.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide 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-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide (CID 55776645) is 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1cccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is LJLBZKYHHCUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-2-14-25-23(27)20-10-7-11-21(16-20)26-24(28)19-9-6-8-18(15-19)17-31(29,30)22-12-4-3-5-13-22/h3-13,15-16H,2,14,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide?
3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55776645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).