N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide

C15H16N2O3S — CID 110795964

IUPACN-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)13-7-5-12(6-8-13)9-11-17-15(18)14-4-2-3-10-16-14/h2-8,10H,9,11H2,1H3,(H,17,18)
InChIKeyDWERGQWHQBAPIL-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide

N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 110795964) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID110795964
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)13-7-5-12(6-8-13)9-11-17-15(18)14-4-2-3-10-16-14/h2-8,10H,9,11H2,1H3,(H,17,18)
InChIKeyDWERGQWHQBAPIL-UHFFFAOYSA-N
XLogP1.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide
CID 110795974
2-(4-methylsulfonylphenyl)-1-pyridin-2-ylethanone
CID 22350079
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
1-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613805
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613015
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide (CID 110795964) is N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide is CS(=O)(=O)c1ccc(CCNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is DWERGQWHQBAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-21(19,20)13-7-5-12(6-8-13)9-11-17-15(18)14-4-2-3-10-16-14/h2-8,10H,9,11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110795964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).