N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C22H23N3O3S — CID 5308305

IUPACN-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C22H23N3O3S/c1-16-6-2-10-19(14-16)24-22(26)18-9-5-13-25(15-18)29(27,28)20-11-3-7-17-8-4-12-23-21(17)20/h2-4,6-8,10-12,14,18H,5,9,13,15H2,1H3,(H,24,26)
InChIKeyUASRDTFWSXXHBV-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.58
Rot. Bonds4

About N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5308305) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5308305
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C22H23N3O3S/c1-16-6-2-10-19(14-16)24-22(26)18-9-5-13-25(15-18)29(27,28)20-11-3-7-17-8-4-12-23-21(17)20/h2-4,6-8,10-12,14,18H,5,9,13,15H2,1H3,(H,24,26)
InChIKeyUASRDTFWSXXHBV-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5308305) is N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is UASRDTFWSXXHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-6-2-10-19(14-16)24-22(26)18-9-5-13-25(15-18)29(27,28)20-11-3-7-17-8-4-12-23-21(17)20/h2-4,6-8,10-12,14,18H,5,9,13,15H2,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-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 N-(3-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5308305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).