N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

C23H23N3O5S — CID 20903574

IUPACN-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1
InChIInChI=1S/C23H23N3O5S/c1-15(27)16-4-2-6-19(12-16)24-23(29)18-5-3-11-26(14-18)32(30,31)20-8-9-21-17(13-20)7-10-22(28)25-21/h2,4,6-10,12-13,18H,3,5,11,14H2,1H3,(H,24,29)(H,25,28)
InChIKeyPTRYWQXCCFKALT-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.77
Rot. Bonds5

About N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 20903574) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID20903574
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1
InChIInChI=1S/C23H23N3O5S/c1-15(27)16-4-2-6-19(12-16)24-23(29)18-5-3-11-26(14-18)32(30,31)20-8-9-21-17(13-20)7-10-22(28)25-21/h2,4,6-10,12-13,18H,3,5,11,14H2,1H3,(H,24,29)(H,25,28)
InChIKeyPTRYWQXCCFKALT-UHFFFAOYSA-N
XLogP2.77
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903559
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22583495
N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903565
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302815
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 55796655
(3S)-N-(4-acetamidophenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92708460
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (CID 20903574) is N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is PTRYWQXCCFKALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-15(27)16-4-2-6-19(12-16)24-23(29)18-5-3-11-26(14-18)32(30,31)20-8-9-21-17(13-20)7-10-22(28)25-21/h2,4,6-10,12-13,18H,3,5,11,14H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 20903574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).