N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide

C23H25N3O4S — CID 24590368

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H25N3O4S/c1-2-30-21-12-11-17(16-22(21)31(28,29)26-14-4-3-5-15-26)25-23(27)19-8-6-10-20-18(19)9-7-13-24-20/h6-13,16H,2-5,14-15H2,1H3,(H,25,27)
InChIKeyWXVOJYRRFOANJB-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.06
Rot. Bonds6

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide (PubChem CID 24590368) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
PubChem CID24590368
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H25N3O4S/c1-2-30-21-12-11-17(16-22(21)31(28,29)26-14-4-3-5-15-26)25-23(27)19-8-6-10-20-18(19)9-7-13-24-20/h6-13,16H,2-5,14-15H2,1H3,(H,25,27)
InChIKeyWXVOJYRRFOANJB-UHFFFAOYSA-N
XLogP4.06
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
CID 24666445
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide (CID 24590368) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide is CCOc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
The InChIKey is WXVOJYRRFOANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-2-30-21-12-11-17(16-22(21)31(28,29)26-14-4-3-5-15-26)25-23(27)19-8-6-10-20-18(19)9-7-13-24-20/h6-13,16H,2-5,14-15H2,1H3,(H,25,27).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide is sourced from PubChem (CID 24590368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).