N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide

C17H24N2O4S — CID 2974279

IUPACN-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C17H24N2O4S/c1-12-5-8-15(23-2)16(10-12)24(21,22)19-9-3-4-13(11-19)17(20)18-14-6-7-14/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3,(H,18,20)
InChIKeyJYMIAKKMLHRIHG-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide

N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 2974279) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID2974279
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C17H24N2O4S/c1-12-5-8-15(23-2)16(10-12)24(21,22)19-9-3-4-13(11-19)17(20)18-14-6-7-14/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3,(H,18,20)
InChIKeyJYMIAKKMLHRIHG-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-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-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 2974279) is N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is JYMIAKKMLHRIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12-5-8-15(23-2)16(10-12)24(21,22)19-9-3-4-13(11-19)17(20)18-14-6-7-14/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2974279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).