N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C23H25N3O4S — CID 5308623

IUPACN-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C23H25N3O4S/c1-30-20-11-3-2-7-18(20)15-25-23(27)19-10-6-14-26(16-19)31(28,29)21-12-4-8-17-9-5-13-24-22(17)21/h2-5,7-9,11-13,19H,6,10,14-16H2,1H3,(H,25,27)
InChIKeyCRRGYIAOFWLBPC-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.96
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5308623) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5308623
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C23H25N3O4S/c1-30-20-11-3-2-7-18(20)15-25-23(27)19-10-6-14-26(16-19)31(28,29)21-12-4-8-17-9-5-13-24-22(17)21/h2-5,7-9,11-13,19H,6,10,14-16H2,1H3,(H,25,27)
InChIKeyCRRGYIAOFWLBPC-UHFFFAOYSA-N
XLogP2.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5308623) is N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CRRGYIAOFWLBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-30-20-11-3-2-7-18(20)15-25-23(27)19-10-6-14-26(16-19)31(28,29)21-12-4-8-17-9-5-13-24-22(17)21/h2-5,7-9,11-13,19H,6,10,14-16H2,1H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5308623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).