N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

C23H23N3O4S — CID 38202600

IUPACN-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCNC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C23H23N3O4S/c1-17-7-5-11-20(15-17)26-31(29,30)21-12-6-10-19(16-21)23(28)25-14-13-24-22(27)18-8-3-2-4-9-18/h2-12,15-16,26H,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyQBMUVJCEVHUIJM-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.96
Rot. Bonds8

About N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 38202600) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID38202600
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCNC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C23H23N3O4S/c1-17-7-5-11-20(15-17)26-31(29,30)21-12-6-10-19(16-21)23(28)25-14-13-24-22(27)18-8-3-2-4-9-18/h2-12,15-16,26H,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyQBMUVJCEVHUIJM-UHFFFAOYSA-N
XLogP2.96
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27824385
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 38202600) is N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCNC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QBMUVJCEVHUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-17-7-5-11-20(15-17)26-31(29,30)21-12-6-10-19(16-21)23(28)25-14-13-24-22(27)18-8-3-2-4-9-18/h2-12,15-16,26H,13-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 38202600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).