3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H20N2O3S — CID 670778

IUPAC3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c18-23(21,22)16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)(H2,18,21,22)
InChIKeyCVIRQGLZBAQKTE-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.63
Rot. Bonds7

About 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 670778) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID670778
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c18-23(21,22)16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)(H2,18,21,22)
InChIKeyCVIRQGLZBAQKTE-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 670778) is 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is CVIRQGLZBAQKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c18-23(21,22)16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2,(H,19,20)(H2,18,21,22).
What are the key properties of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 670778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).