4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide

C26H30N2O6S — CID 92686168

IUPAC4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C26H30N2O6S/c1-6-34-22-13-9-19(10-14-22)18(2)27-26(29)20-7-11-21(12-8-20)28(3)35(30,31)23-15-16-24(32-4)25(17-23)33-5/h7-18H,6H2,1-5H3,(H,27,29)/t18-/m1/s1
InChIKeyQEQWLERPZSYRET-GOSISDBHSA-N
MW498.60 g/mol
LogP4.42
Rot. Bonds10

About 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide (PubChem CID 92686168) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
PubChem CID92686168
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C26H30N2O6S/c1-6-34-22-13-9-19(10-14-22)18(2)27-26(29)20-7-11-21(12-8-20)28(3)35(30,31)23-15-16-24(32-4)25(17-23)33-5/h7-18H,6H2,1-5H3,(H,27,29)/t18-/m1/s1
InChIKeyQEQWLERPZSYRET-GOSISDBHSA-N
XLogP4.42
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546620
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide (CID 92686168) is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide is CCOc1ccc([C@@H](C)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-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide?
The InChIKey is QEQWLERPZSYRET-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-6-34-22-13-9-19(10-14-22)18(2)27-26(29)20-7-11-21(12-8-20)28(3)35(30,31)23-15-16-24(32-4)25(17-23)33-5/h7-18H,6H2,1-5H3,(H,27,29)/t18-/m1/s1.
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide?
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide has a molecular weight of 498.60 g/mol, XLogP of 4.42, 10 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-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 92686168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).