5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide

C17H18N2O4S — CID 167799120

IUPAC5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCc2ccccc2S(C)(=O)=O)nc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)14-7-8-15(19-11-14)17(21)18-10-9-13-5-3-4-6-16(13)24(2,22)23/h3-8,11H,9-10H2,1-2H3,(H,18,21)
InChIKeyDAENQRJGLXLWEY-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.66
Rot. Bonds6

About 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide

5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 167799120) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID167799120
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCc2ccccc2S(C)(=O)=O)nc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)14-7-8-15(19-11-14)17(21)18-10-9-13-5-3-4-6-16(13)24(2,22)23/h3-8,11H,9-10H2,1-2H3,(H,18,21)
InChIKeyDAENQRJGLXLWEY-UHFFFAOYSA-N
XLogP1.66
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
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CID 110479196
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
5-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641754
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
CID 115116754
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439305
methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109192216
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide (CID 167799120) is 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide is CC(=O)c1ccc(C(=O)NCCc2ccccc2S(C)(=O)=O)nc1.
What is the InChIKey of 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is DAENQRJGLXLWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)14-7-8-15(19-11-14)17(21)18-10-9-13-5-3-4-6-16(13)24(2,22)23/h3-8,11H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide?
5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 167799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).