N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C21H26N2O5S — CID 24538290

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-18-9-7-16(8-10-18)11-12-22-21(24)17-4-2-6-20(14-17)29(25,26)23-15-19-5-3-13-28-19/h2,4,6-10,14,19,23H,3,5,11-13,15H2,1H3,(H,22,24)
InChIKeyGEYZQWSKXLCPNJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.12
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24538290) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24538290
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-18-9-7-16(8-10-18)11-12-22-21(24)17-4-2-6-20(14-17)29(25,26)23-15-19-5-3-13-28-19/h2,4,6-10,14,19,23H,3,5,11-13,15H2,1H3,(H,22,24)
InChIKeyGEYZQWSKXLCPNJ-UHFFFAOYSA-N
XLogP2.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)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

N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24643731
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24538290) is N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is GEYZQWSKXLCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-18-9-7-16(8-10-18)11-12-22-21(24)17-4-2-6-20(14-17)29(25,26)23-15-19-5-3-13-28-19/h2,4,6-10,14,19,23H,3,5,11-13,15H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24538290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).