1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

C22H23N3O3S — CID 3192941

IUPAC1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-7-9-19(10-8-16)29(27,28)25-14-11-18(12-15-25)22(26)24-20-6-2-4-17-5-3-13-23-21(17)20/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,26)
InChIKeyGZYCTNFJZMNUCC-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.58
Rot. Bonds4

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

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 3192941) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID3192941
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-7-9-19(10-8-16)29(27,28)25-14-11-18(12-15-25)22(26)24-20-6-2-4-17-5-3-13-23-21(17)20/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,26)
InChIKeyGZYCTNFJZMNUCC-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 134160181
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123306
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (CID 3192941) is 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is GZYCTNFJZMNUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-7-9-19(10-8-16)29(27,28)25-14-11-18(12-15-25)22(26)24-20-6-2-4-17-5-3-13-23-21(17)20/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,26).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3192941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).