4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide

C24H26N2O6S — CID 2228680

IUPAC4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H26N2O6S/c1-5-32-20-12-8-18(9-13-20)25-24(27)17-6-10-19(11-7-17)26(2)33(28,29)21-14-15-22(30-3)23(16-21)31-4/h6-16H,5H2,1-4H3,(H,25,27)
InChIKeyHSKMDFHKXGSFHD-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.18
Rot. Bonds9

About 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 2228680) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
PubChem CID2228680
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H26N2O6S/c1-5-32-20-12-8-18(9-13-20)25-24(27)17-6-10-19(11-7-17)26(2)33(28,29)21-14-15-22(30-3)23(16-21)31-4/h6-16H,5H2,1-4H3,(H,25,27)
InChIKeyHSKMDFHKXGSFHD-UHFFFAOYSA-N
XLogP4.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2979059
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126416137
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
methyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 2958057
N-[4-(2-adamantyl)phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412365
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
ethyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 126033400
4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide
CID 55333054

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide (CID 2228680) is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is HSKMDFHKXGSFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-5-32-20-12-8-18(9-13-20)25-24(27)17-6-10-19(11-7-17)26(2)33(28,29)21-14-15-22(30-3)23(16-21)31-4/h6-16H,5H2,1-4H3,(H,25,27).
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide?
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2228680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).