3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide

C23H24N2O6S2 — CID 24642708

IUPAC3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccccc2)ccc1C
InChIInChI=1S/C23H24N2O6S2/c1-17-12-13-18(24-23(26)14-15-32(27,28)19-8-4-3-5-9-19)16-22(17)33(29,30)25-20-10-6-7-11-21(20)31-2/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyVYYDVDPUHUVREF-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.61
Rot. Bonds9

About 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide

3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide (PubChem CID 24642708) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
PubChem CID24642708
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccccc2)ccc1C
InChIInChI=1S/C23H24N2O6S2/c1-17-12-13-18(24-23(26)14-15-32(27,28)19-8-4-3-5-9-19)16-22(17)33(29,30)25-20-10-6-7-11-21(20)31-2/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyVYYDVDPUHUVREF-UHFFFAOYSA-N
XLogP3.61
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide 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

3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
3-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642566
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
1-cyclopropyl-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 7942694
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide (CID 24642708) is 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccccc2)ccc1C.
What is the InChIKey of 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
The InChIKey is VYYDVDPUHUVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-17-12-13-18(24-23(26)14-15-32(27,28)19-8-4-3-5-9-19)16-22(17)33(29,30)25-20-10-6-7-11-21(20)31-2/h3-13,16,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide has a molecular weight of 488.59 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide is sourced from PubChem (CID 24642708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).