1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

C24H27N3O3S — CID 26123137

IUPAC1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17(2)18-8-10-21(11-9-18)31(29,30)27-15-12-20(13-16-27)24(28)26-22-7-3-5-19-6-4-14-25-23(19)22/h3-11,14,17,20H,12-13,15-16H2,1-2H3,(H,26,28)
InChIKeySFJDYZLVVLDILW-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 26123137) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID26123137
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17(2)18-8-10-21(11-9-18)31(29,30)27-15-12-20(13-16-27)24(28)26-22-7-3-5-19-6-4-14-25-23(19)22/h3-11,14,17,20H,12-13,15-16H2,1-2H3,(H,26,28)
InChIKeySFJDYZLVVLDILW-UHFFFAOYSA-N
XLogP4.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 134160181
N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123306
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-(4-propan-2-ylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26591934
N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55613261
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (CID 26123137) is 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is SFJDYZLVVLDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17(2)18-8-10-21(11-9-18)31(29,30)27-15-12-20(13-16-27)24(28)26-22-7-3-5-19-6-4-14-25-23(19)22/h3-11,14,17,20H,12-13,15-16H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26123137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).