N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C23H25N3O4S — CID 20876150

IUPACN-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C23H25N3O4S/c1-16-10-11-20(30-2)19(14-16)25-23(27)18-8-5-13-26(15-18)31(28,29)21-9-3-6-17-7-4-12-24-22(17)21/h3-4,6-7,9-12,14,18H,5,8,13,15H2,1-2H3,(H,25,27)
InChIKeyKOGYJWWIFCRONS-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.59
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20876150) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID20876150
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C23H25N3O4S/c1-16-10-11-20(30-2)19(14-16)25-23(27)18-8-5-13-26(15-18)31(28,29)21-9-3-6-17-7-4-12-24-22(17)21/h3-4,6-7,9-12,14,18H,5,8,13,15H2,1-2H3,(H,25,27)
InChIKeyKOGYJWWIFCRONS-UHFFFAOYSA-N
XLogP3.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 20876150) is N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KOGYJWWIFCRONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-10-11-20(30-2)19(14-16)25-23(27)18-8-5-13-26(15-18)31(28,29)21-9-3-6-17-7-4-12-24-22(17)21/h3-4,6-7,9-12,14,18H,5,8,13,15H2,1-2H3,(H,25,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20876150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).