N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

C20H26N2O3S — CID 32628667

IUPACN-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCCC(C)C)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-15(2)7-6-12-21-20(23)17-9-5-11-19(14-17)26(24,25)22-18-10-4-8-16(3)13-18/h4-5,8-11,13-15,22H,6-7,12H2,1-3H3,(H,21,23)
InChIKeyASVBAJMRKWGFED-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.96
Rot. Bonds8

About N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 32628667) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID32628667
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCCC(C)C)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-15(2)7-6-12-21-20(23)17-9-5-11-19(14-17)26(24,25)22-18-10-4-8-16(3)13-18/h4-5,8-11,13-15,22H,6-7,12H2,1-3H3,(H,21,23)
InChIKeyASVBAJMRKWGFED-UHFFFAOYSA-N
XLogP3.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 32628667) is N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCCC(C)C)c2)c1.
What is the InChIKey of N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is ASVBAJMRKWGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)7-6-12-21-20(23)17-9-5-11-19(14-17)26(24,25)22-18-10-4-8-16(3)13-18/h4-5,8-11,13-15,22H,6-7,12H2,1-3H3,(H,21,23).
What are the key properties of N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 32628667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).