N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C23H23N3O4S — CID 5307126

IUPACN-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C23H23N3O4S/c1-16(27)17-7-9-20(10-8-17)25-23(28)19-11-14-26(15-12-19)31(29,30)21-6-2-4-18-5-3-13-24-22(18)21/h2-10,13,19H,11-12,14-15H2,1H3,(H,25,28)
InChIKeyFOYMPEJQCJYFRS-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.48
Rot. Bonds5

About N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5307126) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5307126
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C23H23N3O4S/c1-16(27)17-7-9-20(10-8-17)25-23(28)19-11-14-26(15-12-19)31(29,30)21-6-2-4-18-5-3-13-24-22(18)21/h2-10,13,19H,11-12,14-15H2,1H3,(H,25,28)
InChIKeyFOYMPEJQCJYFRS-UHFFFAOYSA-N
XLogP3.48
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5307126) is N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FOYMPEJQCJYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16(27)17-7-9-20(10-8-17)25-23(28)19-11-14-26(15-12-19)31(29,30)21-6-2-4-18-5-3-13-24-22(18)21/h2-10,13,19H,11-12,14-15H2,1H3,(H,25,28).
What are the key properties of N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5307126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).