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

C22H28N4O4S — CID 30126683

IUPACN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C22H28N4O4S/c27-21(22(28)25-16-19-8-4-5-14-23-19)24-15-13-17-9-11-20(12-10-17)31(29,30)26-18-6-2-1-3-7-18/h4-5,8-12,14,18,26H,1-3,6-7,13,15-16H2,(H,24,27)(H,25,28)
InChIKeyLILRNONVDVSHQK-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.67
Rot. Bonds8

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

N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 30126683) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID30126683
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C22H28N4O4S/c27-21(22(28)25-16-19-8-4-5-14-23-19)24-15-13-17-9-11-20(12-10-17)31(29,30)26-18-6-2-1-3-7-18/h4-5,8-12,14,18,26H,1-3,6-7,13,15-16H2,(H,24,27)(H,25,28)
InChIKeyLILRNONVDVSHQK-UHFFFAOYSA-N
XLogP1.67
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 30126755
N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127102
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127006
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
CID 30127509
3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55964646
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192043
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 108736292
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide (CID 30126683) is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide is O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccccn1.
What is the InChIKey of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is LILRNONVDVSHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c27-21(22(28)25-16-19-8-4-5-14-23-19)24-15-13-17-9-11-20(12-10-17)31(29,30)26-18-6-2-1-3-7-18/h4-5,8-12,14,18,26H,1-3,6-7,13,15-16H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 444.56 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 30126683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).