3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide

C25H28N2O5S — CID 24818001

IUPAC3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-27(15-14-19-12-13-23(31-2)24(16-19)32-3)25(28)21-10-7-11-22(17-21)33(29,30)26-18-20-8-5-4-6-9-20/h4-13,16-17,26H,14-15,18H2,1-3H3
InChIKeyFTBSCBYYPKZKQM-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.50
Rot. Bonds10

About 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide

3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 24818001) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID24818001
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-27(15-14-19-12-13-23(31-2)24(16-19)32-3)25(28)21-10-7-11-22(17-21)33(29,30)26-18-20-8-5-4-6-9-20/h4-13,16-17,26H,14-15,18H2,1-3H3
InChIKeyFTBSCBYYPKZKQM-UHFFFAOYSA-N
XLogP3.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide (CID 24818001) is 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide is COc1ccc(CCN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1OC.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is FTBSCBYYPKZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-27(15-14-19-12-13-23(31-2)24(16-19)32-3)25(28)21-10-7-11-22(17-21)33(29,30)26-18-20-8-5-4-6-9-20/h4-13,16-17,26H,14-15,18H2,1-3H3.
What are the key properties of 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 24818001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).