N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C23H25N3O4S — CID 5307753

IUPACN-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H25N3O4S/c1-16-8-9-20(30-2)19(15-16)25-23(27)18-10-13-26(14-11-18)31(28,29)21-7-3-5-17-6-4-12-24-22(17)21/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,25,27)
InChIKeyAGWZSKHLQFXAAY-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.59
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5307753) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5307753
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H25N3O4S/c1-16-8-9-20(30-2)19(15-16)25-23(27)18-10-13-26(14-11-18)31(28,29)21-7-3-5-17-6-4-12-24-22(17)21/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,25,27)
InChIKeyAGWZSKHLQFXAAY-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-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5307753) is N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AGWZSKHLQFXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-8-9-20(30-2)19(15-16)25-23(27)18-10-13-26(14-11-18)31(28,29)21-7-3-5-17-6-4-12-24-22(17)21/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 5307753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).