1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide

C24H28ClN3O4S — CID 22583508

IUPAC1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4C)C3)ccc21
InChIInChI=1S/C24H28ClN3O4S/c1-16-13-20(25)7-9-22(16)26-24(30)19-6-3-11-27(15-19)33(31,32)21-8-10-23-18(14-21)5-4-12-28(23)17(2)29/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,26,30)
InChIKeyAFBOLTTWQZALEN-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 22583508) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
PubChem CID22583508
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4C)C3)ccc21
InChIInChI=1S/C24H28ClN3O4S/c1-16-13-20(25)7-9-22(16)26-24(30)19-6-3-11-27(15-19)33(31,32)21-8-10-23-18(14-21)5-4-12-28(23)17(2)29/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,26,30)
InChIKeyAFBOLTTWQZALEN-UHFFFAOYSA-N
XLogP3.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 92714866
(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92714921
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
N-(4-chloro-2-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5164902
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[(2S)-butan-2-yl]piperidine-3-carboxamide
CID 92714855
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46361677
(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 92687756
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780070
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 22583517
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide (CID 22583508) is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4C)C3)ccc21.
What is the InChIKey of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is AFBOLTTWQZALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-16-13-20(25)7-9-22(16)26-24(30)19-6-3-11-27(15-19)33(31,32)21-8-10-23-18(14-21)5-4-12-28(23)17(2)29/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,26,30).
What are the key properties of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 22583508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).