N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide

C23H25N3O4S — CID 4876431

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H25N3O4S/c1-16-14-19(18-8-4-5-9-20(18)24-16)23(27)25-21-15-17(10-11-22(21)30-2)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,25,27)
InChIKeyCYSHRFMAIRYGAS-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.98
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 4876431) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID4876431
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H25N3O4S/c1-16-14-19(18-8-4-5-9-20(18)24-16)23(27)25-21-15-17(10-11-22(21)30-2)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,25,27)
InChIKeyCYSHRFMAIRYGAS-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide (CID 4876431) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is CYSHRFMAIRYGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-14-19(18-8-4-5-9-20(18)24-16)23(27)25-21-15-17(10-11-22(21)30-2)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.98, 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-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 4876431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).