[2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate

C15H14N2O3S — CID 2684867

IUPAC[2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCSc1cccc(NC(=O)COC(=O)c2ccccn2)c1
InChIInChI=1S/C15H14N2O3S/c1-21-12-6-4-5-11(9-12)17-14(18)10-20-15(19)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFNOWWRMYARKXNJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.60
Rot. Bonds5

About [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2684867) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2684867
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name[2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCSc1cccc(NC(=O)COC(=O)c2ccccn2)c1
InChIInChI=1S/C15H14N2O3S/c1-21-12-6-4-5-11(9-12)17-14(18)10-20-15(19)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFNOWWRMYARKXNJ-UHFFFAOYSA-N
XLogP2.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
Methyl 5-(methylsulfanyl)-2-pyridinecarboxylate
CID 901956
Pyridine-2-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 1088735
Pyridine-2-carboxylic acid benzylcarbamoyl-methyl ester
CID 2351947
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3485661
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16286283
Methyl 3-methylsulfanylpyridine-2-carboxylate
CID 1214445
Pyridine-2-carboxylic acid m-tolylcarbamoyl-methyl ester
CID 1088745
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776268
Pyridine-2-carboxylic acid (2-methyl-cyclohexylcarbamoyl)-methyl ester
CID 3155683

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 2684867) is [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate is CSc1cccc(NC(=O)COC(=O)c2ccccn2)c1.
What is the InChIKey of [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is FNOWWRMYARKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-21-12-6-4-5-11(9-12)17-14(18)10-20-15(19)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2684867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).