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

C22H26N4O6S — CID 30127509

IUPACN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H26N4O6S/c27-21(22(28)24-17-8-10-19(11-9-17)26(29)30)23-15-14-16-6-12-20(13-7-16)33(31,32)25-18-4-2-1-3-5-18/h6-13,18,25H,1-5,14-15H2,(H,23,27)(H,24,28)
InChIKeyZCMVBOGDPCYMMF-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.50
Rot. Bonds8

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

N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 30127509) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
PubChem CID30127509
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H26N4O6S/c27-21(22(28)24-17-8-10-19(11-9-17)26(29)30)23-15-14-16-6-12-20(13-7-16)33(31,32)25-18-4-2-1-3-5-18/h6-13,18,25H,1-5,14-15H2,(H,23,27)(H,24,28)
InChIKeyZCMVBOGDPCYMMF-UHFFFAOYSA-N
XLogP2.50
TPSA147.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127102
N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127006
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 30126755
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 54561382
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 108736405
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
N-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide (CID 30127509) is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide is O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is ZCMVBOGDPCYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c27-21(22(28)24-17-8-10-19(11-9-17)26(29)30)23-15-14-16-6-12-20(13-7-16)33(31,32)25-18-4-2-1-3-5-18/h6-13,18,25H,1-5,14-15H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide?
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide has a molecular weight of 474.54 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 30127509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).