N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide

C22H23N3O3S — CID 32739299

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N3O3S/c1-16-10-11-17(15-21(16)29(27,28)25-13-3-2-4-14-25)24-22(26)19-7-5-9-20-18(19)8-6-12-23-20/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)
InChIKeyWEXFZTCPDKQMSJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.97
Rot. Bonds4

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide (PubChem CID 32739299) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
PubChem CID32739299
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N3O3S/c1-16-10-11-17(15-21(16)29(27,28)25-13-3-2-4-14-25)24-22(26)19-7-5-9-20-18(19)8-6-12-23-20/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)
InChIKeyWEXFZTCPDKQMSJ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 22108544
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4616264
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methoxypyridine-3-carboxamide
CID 39983441
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
CID 112796034
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide (CID 32739299) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide is Cc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
The InChIKey is WEXFZTCPDKQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-10-11-17(15-21(16)29(27,28)25-13-3-2-4-14-25)24-22(26)19-7-5-9-20-18(19)8-6-12-23-20/h5-12,15H,2-4,13-14H2,1H3,(H,24,26).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide is sourced from PubChem (CID 32739299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).