2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N2O3S — CID 890706

IUPAC2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-2-4-15(5-3-13)12-17(20)19-11-10-14-6-8-16(9-7-14)23(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyVKRCQKRYHVOUNZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.54
Rot. Bonds6

About 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 890706) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID890706
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-2-4-15(5-3-13)12-17(20)19-11-10-14-6-8-16(9-7-14)23(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyVKRCQKRYHVOUNZ-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 890706) is 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VKRCQKRYHVOUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-2-4-15(5-3-13)12-17(20)19-11-10-14-6-8-16(9-7-14)23(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 890706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).