N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide

C22H21ClN2O3S — CID 56552713

IUPACN-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)NC(Cc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c23-19-10-6-16(7-11-19)14-21(18-4-2-1-3-5-18)25-22(26)15-17-8-12-20(13-9-17)29(24,27)28/h1-13,21H,14-15H2,(H,25,26)(H2,24,27,28)
InChIKeyICRBODWWPIDHIG-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide

N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56552713) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56552713
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)NC(Cc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c23-19-10-6-16(7-11-19)14-21(18-4-2-1-3-5-18)25-22(26)15-17-8-12-20(13-9-17)29(24,27)28/h1-13,21H,14-15H2,(H,25,26)(H2,24,27,28)
InChIKeyICRBODWWPIDHIG-UHFFFAOYSA-N
XLogP3.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide (CID 56552713) is N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(CC(=O)NC(Cc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is ICRBODWWPIDHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-19-10-6-16(7-11-19)14-21(18-4-2-1-3-5-18)25-22(26)15-17-8-12-20(13-9-17)29(24,27)28/h1-13,21H,14-15H2,(H,25,26)(H2,24,27,28).
What are the key properties of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide?
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 428.94 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56552713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).