N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide

C23H24N2O4S — CID 3472525

IUPACN-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-24(17-18-7-5-4-6-8-18)23(26)19-9-11-20(12-10-19)25(2)30(27,28)22-15-13-21(29-3)14-16-22/h4-16H,17H2,1-3H3
InChIKeyWAPGXEPPELWASM-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.79
Rot. Bonds7

About N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide

N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide (PubChem CID 3472525) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
PubChem CID3472525
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-24(17-18-7-5-4-6-8-18)23(26)19-9-11-20(12-10-19)25(2)30(27,28)22-15-13-21(29-3)14-16-22/h4-16H,17H2,1-3H3
InChIKeyWAPGXEPPELWASM-UHFFFAOYSA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
CID 8991375
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843876
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 31138593
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide?
The IUPAC name of N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide (CID 3472525) is N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide?
The InChIKey is WAPGXEPPELWASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-24(17-18-7-5-4-6-8-18)23(26)19-9-11-20(12-10-19)25(2)30(27,28)22-15-13-21(29-3)14-16-22/h4-16H,17H2,1-3H3.
What are the key properties of N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide?
N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide has a molecular weight of 424.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide is sourced from PubChem (CID 3472525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).