N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C21H24F3N3O4S — CID 55707554

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C21H24F3N3O4S/c1-2-31-19-12-15(6-9-25-19)14-26-20(28)16-7-10-27(11-8-16)32(29,30)18-5-3-4-17(13-18)21(22,23)24/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,26,28)
InChIKeySTRNBPDKYDEAAF-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.22
Rot. Bonds7

About N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55707554) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55707554
Molecular FormulaC21H24F3N3O4S
Molecular Weight471.50 g/mol
Exact Mass471.14
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C21H24F3N3O4S/c1-2-31-19-12-15(6-9-25-19)14-26-20(28)16-7-10-27(11-8-16)32(29,30)18-5-3-4-17(13-18)21(22,23)24/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,26,28)
InChIKeySTRNBPDKYDEAAF-UHFFFAOYSA-N
XLogP3.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501591
N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55707675
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
N-[(4-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 60535715
N-(3-methoxypropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24686101
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
N-pentan-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 9113986
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
N-(4-propylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42237142
N-[2-(4-chlorophenoxy)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55372701
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27822863
N-[3-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55574226

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55707554) is N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is STRNBPDKYDEAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-2-31-19-12-15(6-9-25-19)14-26-20(28)16-7-10-27(11-8-16)32(29,30)18-5-3-4-17(13-18)21(22,23)24/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,26,28).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55707554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).