3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide

C25H28N2O6S — CID 28557712

IUPAC3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1OC
InChIInChI=1S/C25H28N2O6S/c1-17(19-10-12-21(31-2)23(14-19)33-4)27-25(28)20-11-13-22(32-3)24(15-20)34(29,30)26-16-18-8-6-5-7-9-18/h5-15,17,26H,16H2,1-4H3,(H,27,28)/t17-/m0/s1
InChIKeyPSDHBZMLTXEWNQ-KRWDZBQOSA-N
MW484.57 g/mol
LogP3.68
Rot. Bonds10

About 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide

3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 28557712) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID28557712
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1OC
InChIInChI=1S/C25H28N2O6S/c1-17(19-10-12-21(31-2)23(14-19)33-4)27-25(28)20-11-13-22(32-3)24(15-20)34(29,30)26-16-18-8-6-5-7-9-18/h5-15,17,26H,16H2,1-4H3,(H,27,28)/t17-/m0/s1
InChIKeyPSDHBZMLTXEWNQ-KRWDZBQOSA-N
XLogP3.68
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide 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

3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28557709
3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28557720
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28552551
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 43874000
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (CID 28557712) is 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1OC.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is PSDHBZMLTXEWNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-17(19-10-12-21(31-2)23(14-19)33-4)27-25(28)20-11-13-22(32-3)24(15-20)34(29,30)26-16-18-8-6-5-7-9-18/h5-15,17,26H,16H2,1-4H3,(H,27,28)/t17-/m0/s1.
What are the key properties of 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 484.57 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 28557712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).