N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C19H23N3O3S — CID 6622068

IUPACN-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1
InChIInChI=1S/C19H23N3O3S/c1-2-15-6-3-8-17(12-15)21-19(23)16-7-5-11-22(14-16)26(24,25)18-9-4-10-20-13-18/h3-4,6,8-10,12-13,16H,2,5,7,11,14H2,1H3,(H,21,23)
InChIKeyCIPXURBBUDLEFY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.68
Rot. Bonds5

About N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 6622068) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID6622068
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1
InChIInChI=1S/C19H23N3O3S/c1-2-15-6-3-8-17(12-15)21-19(23)16-7-5-11-22(14-16)26(24,25)18-9-4-10-20-13-18/h3-4,6,8-10,12-13,16H,2,5,7,11,14H2,1H3,(H,21,23)
InChIKeyCIPXURBBUDLEFY-UHFFFAOYSA-N
XLogP2.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-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-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 6622068) is N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is CCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CIPXURBBUDLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-15-6-3-8-17(12-15)21-19(23)16-7-5-11-22(14-16)26(24,25)18-9-4-10-20-13-18/h3-4,6,8-10,12-13,16H,2,5,7,11,14H2,1H3,(H,21,23).
What are the key properties of N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6622068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).