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

C25H31N3O4S — CID 46361677

IUPAC1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)ccc21
InChIInChI=1S/C25H31N3O4S/c1-17-6-4-8-23(18(17)2)26-25(30)20-11-14-27(15-12-20)33(31,32)22-9-10-24-21(16-22)7-5-13-28(24)19(3)29/h4,6,8-10,16,20H,5,7,11-15H2,1-3H3,(H,26,30)
InChIKeySJCWYDBFJKBHMA-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.64
Rot. Bonds4

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

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 46361677) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
PubChem CID46361677
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)ccc21
InChIInChI=1S/C25H31N3O4S/c1-17-6-4-8-23(18(17)2)26-25(30)20-11-14-27(15-12-20)33(31,32)22-9-10-24-21(16-22)7-5-13-28(24)19(3)29/h4,6,8-10,16,20H,5,7,11-15H2,1-3H3,(H,26,30)
InChIKeySJCWYDBFJKBHMA-UHFFFAOYSA-N
XLogP3.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55914561
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 92714866
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46361687
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 22583508
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 46361708
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide
CID 46361849
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92714921
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide (CID 46361677) is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4C)CC3)ccc21.
What is the InChIKey of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is SJCWYDBFJKBHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-17-6-4-8-23(18(17)2)26-25(30)20-11-14-27(15-12-20)33(31,32)22-9-10-24-21(16-22)7-5-13-28(24)19(3)29/h4,6,8-10,16,20H,5,7,11-15H2,1-3H3,(H,26,30).
What are the key properties of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.64, 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-(2,3-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46361677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).