2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide

C19H17N3O2S2 — CID 3142259

IUPAC2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1
InChIInChI=1S/C19H17N3O2S2/c1-12-4-2-3-5-16(12)21-18(24)11-26-19-15(9-20)14(8-17(23)22-19)13-6-7-25-10-13/h2-7,10,14H,8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyWLUHHXQSCIQALC-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.77
Rot. Bonds5

About 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide

2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 3142259) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID3142259
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1
InChIInChI=1S/C19H17N3O2S2/c1-12-4-2-3-5-16(12)21-18(24)11-26-19-15(9-20)14(8-17(23)22-19)13-6-7-25-10-13/h2-7,10,14H,8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyWLUHHXQSCIQALC-UHFFFAOYSA-N
XLogP3.77
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-(2,6-dimethylphenyl)-2-thiophen-2-ylacetamide
CID 670067
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 2137683
(2E)-2-cyano-N-(2-methylphenyl)-3-(thiophen-3-yl)prop-2-enamide
CID 878233
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 2094945
2-cyano-N-(2-methylphenyl)-3-(3-thienyl)acrylamide
CID 2263811
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 2346662
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 2478301
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2642484
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2688782
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24982321

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 3142259) is 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1.
What is the InChIKey of 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is WLUHHXQSCIQALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-12-4-2-3-5-16(12)21-18(24)11-26-19-15(9-20)14(8-17(23)22-19)13-6-7-25-10-13/h2-7,10,14H,8,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 3142259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).