N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide

C23H24N2O3S — CID 26899300

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C23H24N2O3S/c1-17-9-10-18(2)22(15-17)23(26)24-20-11-13-21(14-12-20)29(27,28)25(3)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyARBUHVAKZQUECH-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.38
Rot. Bonds6

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide (PubChem CID 26899300) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
PubChem CID26899300
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C23H24N2O3S/c1-17-9-10-18(2)22(15-17)23(26)24-20-11-13-21(14-12-20)29(27,28)25(3)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyARBUHVAKZQUECH-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 1304567
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783633
2-(2-amino-2-oxoethoxy)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]benzamide
CID 24524423
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2238568

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide (CID 26899300) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
The InChIKey is ARBUHVAKZQUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-9-10-18(2)22(15-17)23(26)24-20-11-13-21(14-12-20)29(27,28)25(3)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 26899300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).