2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide

C25H28N2O6S — CID 17427772

IUPAC2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C25H28N2O6S/c1-5-32-23-16-15-20(17-24(23)33-6-2)34(29,30)27(3)22-10-8-7-9-21(22)25(28)26-18-11-13-19(31-4)14-12-18/h7-17H,5-6H2,1-4H3,(H,26,28)
InChIKeyXNHDWZOEPLEHCJ-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.57
Rot. Bonds10

About 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide

2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide (PubChem CID 17427772) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
PubChem CID17427772
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C25H28N2O6S/c1-5-32-23-16-15-20(17-24(23)33-6-2)34(29,30)27(3)22-10-8-7-9-21(22)25(28)26-18-11-13-19(31-4)14-12-18/h7-17H,5-6H2,1-4H3,(H,26,28)
InChIKeyXNHDWZOEPLEHCJ-UHFFFAOYSA-N
XLogP4.57
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-methoxyethoxy)phenyl]sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 30867735
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 24621801
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 21372381
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
CID 1303909
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide
CID 9056065
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide (CID 17427772) is 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide is CCOc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is XNHDWZOEPLEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-32-23-16-15-20(17-24(23)33-6-2)34(29,30)27(3)22-10-8-7-9-21(22)25(28)26-18-11-13-19(31-4)14-12-18/h7-17H,5-6H2,1-4H3,(H,26,28).
What are the key properties of 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 484.57 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 17427772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).