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

C20H19N3O3S2 — CID 3144041

IUPAC2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSC2=C(C#N)C(c3cccs3)CC(=O)N2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-2-26-14-7-5-13(6-8-14)22-19(25)12-28-20-16(11-21)15(10-18(24)23-20)17-4-3-9-27-17/h3-9,15H,2,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyAJVZRTWXXJZSPH-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.86
Rot. Bonds7

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

2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 3144041) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID3144041
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSC2=C(C#N)C(c3cccs3)CC(=O)N2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-2-26-14-7-5-13(6-8-14)22-19(25)12-28-20-16(11-21)15(10-18(24)23-20)17-4-3-9-27-17/h3-9,15H,2,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyAJVZRTWXXJZSPH-UHFFFAOYSA-N
XLogP3.86
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
3-(4-Methoxyphenyl)-6-oxo-8-thiophen-2-yl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 667173
N-(4-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322907
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-(4-ethoxyphenyl)-3-[(4-methylphenyl)thio]propanamide
CID 2194207
3-[(cyanomethyl)sulfanyl]-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2766965
N-[4-(hexyloxy)phenyl]thiophene-2-carboxamide
CID 3905653
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
CID 4539256
N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide
CID 4949779
N-[4-(3-Butoxybenzamido)phenyl]thiophene-2-carboxamide
CID 8441531
N-(4-ethoxyphenyl)-5-phenylthiophene-2-carboxamide
CID 16012298
[2-(4-Ethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2359404

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 3144041) is 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSC2=C(C#N)C(c3cccs3)CC(=O)N2)cc1.
What is the InChIKey of 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is AJVZRTWXXJZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-2-26-14-7-5-13(6-8-14)22-19(25)12-28-20-16(11-21)15(10-18(24)23-20)17-4-3-9-27-17/h3-9,15H,2,10,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3144041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).