2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide

C24H26N2O3S — CID 43907741

IUPAC2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)17-23(19-11-5-3-6-12-19)25-24(27)21-15-9-10-16-22(21)26-30(28,29)20-13-7-4-8-14-20/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)
InChIKeyMNASHNCXEZRMOX-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.00
Rot. Bonds8

About 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide

2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 43907741) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID43907741
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)17-23(19-11-5-3-6-12-19)25-24(27)21-15-9-10-16-22(21)26-30(28,29)20-13-7-4-8-14-20/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)
InChIKeyMNASHNCXEZRMOX-UHFFFAOYSA-N
XLogP5.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 92672317
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide (CID 43907741) is 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is MNASHNCXEZRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18(2)17-23(19-11-5-3-6-12-19)25-24(27)21-15-9-10-16-22(21)26-30(28,29)20-13-7-4-8-14-20/h3-16,18,23,26H,17H2,1-2H3,(H,25,27).
What are the key properties of 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 43907741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).