N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

C23H24N2O3S — CID 132663234

IUPACN-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)c3ccccc3C)c2)c1
InChIInChI=1S/C23H24N2O3S/c1-16-8-6-11-20(14-16)25-29(27,28)21-12-7-10-19(15-21)23(26)24-18(3)22-13-5-4-9-17(22)2/h4-15,18,25H,1-3H3,(H,24,26)
InChIKeyMRUWNDIPGYQCKQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 132663234) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID132663234
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)c3ccccc3C)c2)c1
InChIInChI=1S/C23H24N2O3S/c1-16-8-6-11-20(14-16)25-29(27,28)21-12-7-10-19(15-21)23(26)24-18(3)22-13-5-4-9-17(22)2/h4-15,18,25H,1-3H3,(H,24,26)
InChIKeyMRUWNDIPGYQCKQ-UHFFFAOYSA-N
XLogP4.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 26309834
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 46601390
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 42960995
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 132663234) is N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C)c3ccccc3C)c2)c1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MRUWNDIPGYQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-8-6-11-20(14-16)25-29(27,28)21-12-7-10-19(15-21)23(26)24-18(3)22-13-5-4-9-17(22)2/h4-15,18,25H,1-3H3,(H,24,26).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 132663234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).