2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide

C14H19N3O4S — CID 12884401

IUPAC2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C14H19N3O4S/c15-22(20,21)12-6-4-11(5-7-12)8-9-16-14(19)17-10-2-1-3-13(17)18/h4-7H,1-3,8-10H2,(H,16,19)(H2,15,20,21)
InChIKeyUSIGAEXVHYHOCX-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.60
Rot. Bonds4

About 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide

2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 12884401) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID12884401
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C14H19N3O4S/c15-22(20,21)12-6-4-11(5-7-12)8-9-16-14(19)17-10-2-1-3-13(17)18/h4-7H,1-3,8-10H2,(H,16,19)(H2,15,20,21)
InChIKeyUSIGAEXVHYHOCX-UHFFFAOYSA-N
XLogP0.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide (CID 12884401) is 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1.
What is the InChIKey of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is USIGAEXVHYHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c15-22(20,21)12-6-4-11(5-7-12)8-9-16-14(19)17-10-2-1-3-13(17)18/h4-7H,1-3,8-10H2,(H,16,19)(H2,15,20,21).
What are the key properties of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide?
2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 12884401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).