N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C25H28N2O3S — CID 132670888

IUPACN-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CC(C)C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O3S/c1-18(2)16-24(20-8-5-4-6-9-20)26-25(28)21-10-7-11-23(17-21)31(29,30)27-22-14-12-19(3)13-15-22/h4-15,17-18,24,27H,16H2,1-3H3,(H,26,28)
InChIKeyHOYHMIIUERULAM-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.31
Rot. Bonds8

About N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 132670888) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID132670888
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CC(C)C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O3S/c1-18(2)16-24(20-8-5-4-6-9-20)26-25(28)21-10-7-11-23(17-21)31(29,30)27-22-14-12-19(3)13-15-22/h4-15,17-18,24,27H,16H2,1-3H3,(H,26,28)
InChIKeyHOYHMIIUERULAM-UHFFFAOYSA-N
XLogP5.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 132670888) is N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CC(C)C)c3ccccc3)c2)cc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is HOYHMIIUERULAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18(2)16-24(20-8-5-4-6-9-20)26-25(28)21-10-7-11-23(17-21)31(29,30)27-22-14-12-19(3)13-15-22/h4-15,17-18,24,27H,16H2,1-3H3,(H,26,28).
What are the key properties of N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 132670888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).