1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

C23H23N3O4S — CID 26123306

IUPAC1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C23H23N3O4S/c1-16(27)19-6-2-8-20(15-19)31(29,30)26-13-10-18(11-14-26)23(28)25-21-9-3-5-17-7-4-12-24-22(17)21/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,25,28)
InChIKeyLPMXWAMQEHQRQY-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 26123306) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID26123306
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C23H23N3O4S/c1-16(27)19-6-2-8-20(15-19)31(29,30)26-13-10-18(11-14-26)23(28)25-21-9-3-5-17-7-4-12-24-22(17)21/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,25,28)
InChIKeyLPMXWAMQEHQRQY-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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Related Compounds

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 134160181
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-(3-acetylphenyl)sulfonyl-N-imidazo[1,2-a]pyridin-5-ylpiperidine-4-carboxamide
CID 75373447
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
1-(3-acetylphenyl)sulfonyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24573053
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (CID 26123306) is 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is LPMXWAMQEHQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16(27)19-6-2-8-20(15-19)31(29,30)26-13-10-18(11-14-26)23(28)25-21-9-3-5-17-7-4-12-24-22(17)21/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,25,28).
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-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 1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26123306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).