4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide

C20H24F2N4O4S — CID 177192235

IUPAC4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide
SMILESCCN1CCC(c2ccc(F)c(F)c2OC)C(C(=O)Nc2ccnc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C20H24F2N4O4S/c1-3-26-9-7-13(14-4-5-16(21)18(22)19(14)30-2)15(11-26)20(27)25-12-6-8-24-17(10-12)31(23,28)29/h4-6,8,10,13,15H,3,7,9,11H2,1-2H3,(H2,23,28,29)(H,24,25,27)
InChIKeyZBVALXMTSQUOCG-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.08
Rot. Bonds6

About 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide

4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 177192235) has the molecular formula C20H24F2N4O4S and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide
PubChem CID177192235
Molecular FormulaC20H24F2N4O4S
Molecular Weight454.50 g/mol
Exact Mass454.15
IUPAC Name4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide
SMILESCCN1CCC(c2ccc(F)c(F)c2OC)C(C(=O)Nc2ccnc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C20H24F2N4O4S/c1-3-26-9-7-13(14-4-5-16(21)18(22)19(14)30-2)15(11-26)20(27)25-12-6-8-24-17(10-12)31(23,28)29/h4-6,8,10,13,15H,3,7,9,11H2,1-2H3,(H2,23,28,29)(H,24,25,27)
InChIKeyZBVALXMTSQUOCG-UHFFFAOYSA-N
XLogP2.08
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide (CID 177192235) is 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide is CCN1CCC(c2ccc(F)c(F)c2OC)C(C(=O)Nc2ccnc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is ZBVALXMTSQUOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O4S/c1-3-26-9-7-13(14-4-5-16(21)18(22)19(14)30-2)15(11-26)20(27)25-12-6-8-24-17(10-12)31(23,28)29/h4-6,8,10,13,15H,3,7,9,11H2,1-2H3,(H2,23,28,29)(H,24,25,27).
What are the key properties of 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide?
4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-2-methoxyphenyl)-1-ethyl-N-(2-sulfamoyl-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 177192235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).