N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C28H26N2O4S — CID 2399081

IUPACN-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)cc1
InChIInChI=1S/C28H26N2O4S/c1-30(24-15-17-25(34-2)18-16-24)35(32,33)26-13-8-12-23(20-26)28(31)29-27-14-7-6-11-22(27)19-21-9-4-3-5-10-21/h3-18,20H,19H2,1-2H3,(H,29,31)
InChIKeyGAKVZMWWAKIMHG-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.36
Rot. Bonds8

About N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2399081) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2399081
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC NameN-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)cc1
InChIInChI=1S/C28H26N2O4S/c1-30(24-15-17-25(34-2)18-16-24)35(32,33)26-13-8-12-23(20-26)28(31)29-27-14-7-6-11-22(27)19-21-9-4-3-5-10-21/h3-18,20H,19H2,1-2H3,(H,29,31)
InChIKeyGAKVZMWWAKIMHG-UHFFFAOYSA-N
XLogP5.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55952896
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55655520

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2399081) is N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)cc1.
What is the InChIKey of N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is GAKVZMWWAKIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-30(24-15-17-25(34-2)18-16-24)35(32,33)26-13-8-12-23(20-26)28(31)29-27-14-7-6-11-22(27)19-21-9-4-3-5-10-21/h3-18,20H,19H2,1-2H3,(H,29,31).
What are the key properties of N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 486.59 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2399081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).