4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide

C24H26N2O3S — CID 132666924

IUPAC4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C
InChIInChI=1S/C24H26N2O3S/c1-17(2)23(22-12-8-7-9-18(22)3)25-24(27)19-13-15-20(16-14-19)26-30(28,29)21-10-5-4-6-11-21/h4-17,23,26H,1-3H3,(H,25,27)
InChIKeyDZFRXEIRGXXNLY-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.92
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide

4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide (PubChem CID 132666924) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide
PubChem CID132666924
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C
InChIInChI=1S/C24H26N2O3S/c1-17(2)23(22-12-8-7-9-18(22)3)25-24(27)19-13-15-20(16-14-19)26-30(28,29)21-10-5-4-6-11-21/h4-17,23,26H,1-3H3,(H,25,27)
InChIKeyDZFRXEIRGXXNLY-UHFFFAOYSA-N
XLogP4.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-[1-(2-methylphenyl)propyl]benzamide
CID 132663227
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119323110
N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 132672589
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92678214
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide (CID 132666924) is 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide is Cc1ccccc1C(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C.
What is the InChIKey of 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide?
The InChIKey is DZFRXEIRGXXNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17(2)23(22-12-8-7-9-18(22)3)25-24(27)19-13-15-20(16-14-19)26-30(28,29)21-10-5-4-6-11-21/h4-17,23,26H,1-3H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide?
4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide is sourced from PubChem (CID 132666924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).