3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide

C29H28N2O6S — CID 2469146

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)c1
InChIInChI=1S/C29H28N2O6S/c1-35-23-16-17-27(36-2)25(19-23)30-29(32)22-12-9-13-24(18-22)38(33,34)31(20-21-10-5-4-6-11-21)26-14-7-8-15-28(26)37-3/h4-19H,20H2,1-3H3,(H,30,32)
InChIKeyCHQRVYQZUFNEAB-UHFFFAOYSA-N
MW532.62 g/mol
LogP5.36
Rot. Bonds10

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 2469146) has the molecular formula C29H28N2O6S and a molecular weight of 532.62 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID2469146
Molecular FormulaC29H28N2O6S
Molecular Weight532.62 g/mol
Exact Mass532.17
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)c1
InChIInChI=1S/C29H28N2O6S/c1-35-23-16-17-27(36-2)25(19-23)30-29(32)22-12-9-13-24(18-22)38(33,34)31(20-21-10-5-4-6-11-21)26-14-7-8-15-28(26)37-3/h4-19H,20H2,1-3H3,(H,30,32)
InChIKeyCHQRVYQZUFNEAB-UHFFFAOYSA-N
XLogP5.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 24982454
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2079702
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide (CID 2469146) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is CHQRVYQZUFNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O6S/c1-35-23-16-17-27(36-2)25(19-23)30-29(32)22-12-9-13-24(18-22)38(33,34)31(20-21-10-5-4-6-11-21)26-14-7-8-15-28(26)37-3/h4-19H,20H2,1-3H3,(H,30,32).
What are the key properties of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 532.62 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 2469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).