(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide

C22H23N3O3S — CID 25353300

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-9-11-19(12-10-16)29(27,28)25-13-5-4-8-21(25)22(26)24-18-14-17-6-2-3-7-20(17)23-15-18/h2-3,6-7,9-12,14-15,21H,4-5,8,13H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyRAOYSZOAGLCOCR-NRFANRHFSA-N
MW409.51 g/mol
LogP3.73
Rot. Bonds4

About (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide

(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide (PubChem CID 25353300) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide
PubChem CID25353300
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-9-11-19(12-10-16)29(27,28)25-13-5-4-8-21(25)22(26)24-18-14-17-6-2-3-7-20(17)23-15-18/h2-3,6-7,9-12,14-15,21H,4-5,8,13H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyRAOYSZOAGLCOCR-NRFANRHFSA-N
XLogP3.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 40645847
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 4534701
(2S)-1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 25381432
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide (CID 25353300) is (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide?
The InChIKey is RAOYSZOAGLCOCR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-9-11-19(12-10-16)29(27,28)25-13-5-4-8-21(25)22(26)24-18-14-17-6-2-3-7-20(17)23-15-18/h2-3,6-7,9-12,14-15,21H,4-5,8,13H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide?
(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide is sourced from PubChem (CID 25353300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).