N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide

C21H30N4O5S — CID 12884406

IUPACN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C21H30N4O5S/c26-19-8-4-5-15-25(19)21(28)22-14-13-16-9-11-18(12-10-16)31(29,30)24-20(27)23-17-6-2-1-3-7-17/h9-12,17H,1-8,13-15H2,(H,22,28)(H2,23,24,27)
InChIKeyURFQRTCAVCNZJY-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.27
Rot. Bonds6

About N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide (PubChem CID 12884406) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide
PubChem CID12884406
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C21H30N4O5S/c26-19-8-4-5-15-25(19)21(28)22-14-13-16-9-11-18(12-10-16)31(29,30)24-20(27)23-17-6-2-1-3-7-17/h9-12,17H,1-8,13-15H2,(H,22,28)(H2,23,24,27)
InChIKeyURFQRTCAVCNZJY-UHFFFAOYSA-N
XLogP2.27
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide (CID 12884406) is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide is O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The InChIKey is URFQRTCAVCNZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S/c26-19-8-4-5-15-25(19)21(28)22-14-13-16-9-11-18(12-10-16)31(29,30)24-20(27)23-17-6-2-1-3-7-17/h9-12,17H,1-8,13-15H2,(H,22,28)(H2,23,24,27).
What are the key properties of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide is sourced from PubChem (CID 12884406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).