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

C22H26BrN3O4S — CID 30127102

IUPACN'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H26BrN3O4S/c23-17-8-10-18(11-9-17)25-22(28)21(27)24-15-14-16-6-12-20(13-7-16)31(29,30)26-19-4-2-1-3-5-19/h6-13,19,26H,1-5,14-15H2,(H,24,27)(H,25,28)
InChIKeyQALJJJOMOXJBQR-UHFFFAOYSA-N
MW508.44 g/mol
LogP3.36
Rot. Bonds7

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

N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide (PubChem CID 30127102) has the molecular formula C22H26BrN3O4S and a molecular weight of 508.44 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
PubChem CID30127102
Molecular FormulaC22H26BrN3O4S
Molecular Weight508.44 g/mol
Exact Mass507.08
IUPAC NameN'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H26BrN3O4S/c23-17-8-10-18(11-9-17)25-22(28)21(27)24-15-14-16-6-12-20(13-7-16)31(29,30)26-19-4-2-1-3-5-19/h6-13,19,26H,1-5,14-15H2,(H,24,27)(H,25,28)
InChIKeyQALJJJOMOXJBQR-UHFFFAOYSA-N
XLogP3.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
CID 30127509
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-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide (CID 30127102) is N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide is O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
The InChIKey is QALJJJOMOXJBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O4S/c23-17-8-10-18(11-9-17)25-22(28)21(27)24-15-14-16-6-12-20(13-7-16)31(29,30)26-19-4-2-1-3-5-19/h6-13,19,26H,1-5,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide?
N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide has a molecular weight of 508.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 30127102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).