N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide

C22H26ClN3O4S — CID 30127006

IUPACN'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H26ClN3O4S/c23-17-5-4-8-19(15-17)25-22(28)21(27)24-14-13-16-9-11-20(12-10-16)31(29,30)26-18-6-2-1-3-7-18/h4-5,8-12,15,18,26H,1-3,6-7,13-14H2,(H,24,27)(H,25,28)
InChIKeyQSSJCJXXHHKJMM-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.25
Rot. Bonds7

About N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide

N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide (PubChem CID 30127006) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
PubChem CID30127006
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC NameN'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H26ClN3O4S/c23-17-5-4-8-19(15-17)25-22(28)21(27)24-14-13-16-9-11-20(12-10-16)31(29,30)26-18-6-2-1-3-7-18/h4-5,8-12,15,18,26H,1-3,6-7,13-14H2,(H,24,27)(H,25,28)
InChIKeyQSSJCJXXHHKJMM-UHFFFAOYSA-N
XLogP3.25
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide 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'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127102
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
CID 30127509
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 30126755
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide (CID 30127006) is N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide is O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
The InChIKey is QSSJCJXXHHKJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-17-5-4-8-19(15-17)25-22(28)21(27)24-14-13-16-9-11-20(12-10-16)31(29,30)26-18-6-2-1-3-7-18/h4-5,8-12,15,18,26H,1-3,6-7,13-14H2,(H,24,27)(H,25,28).
What are the key properties of N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide has a molecular weight of 463.99 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 30127006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).