2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide

C15H15N3O2S2 — CID 2862283

IUPAC2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide
SMILESCC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccs1
InChIInChI=1S/C15H15N3O2S2/c1-8-13(9(2)19)14(11-4-3-5-21-11)10(6-16)15(18-8)22-7-12(17)20/h3-5,14,18H,7H2,1-2H3,(H2,17,20)
InChIKeyNTTUARXTKDGXSG-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.25
Rot. Bonds5

About 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide

2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide (PubChem CID 2862283) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide
PubChem CID2862283
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide
SMILESCC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccs1
InChIInChI=1S/C15H15N3O2S2/c1-8-13(9(2)19)14(11-4-3-5-21-11)10(6-16)15(18-8)22-7-12(17)20/h3-5,14,18H,7H2,1-2H3,(H2,17,20)
InChIKeyNTTUARXTKDGXSG-UHFFFAOYSA-N
XLogP2.25
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 2854824
2-oxo-6-propylsulfanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 3982788
2-[[5-cyano-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 2855331
3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine
CID 774774
2-(Ethylsulfanyl)-4-(5-methyl-2-thienyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
CID 2854923
2-{[5-Acetyl-3-cyano-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-2-pyridinyl]thio}acetamide
CID 2862239
5-Acetyl-2-[(2-ethoxyethyl)thio]-6-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarbonitrile
CID 2862333
Methyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
CID 2854755
6-Hydroxy-2-(methylsulfanyl)-4-(5-methylthiophen-2-yl)-4,5-dihydropyridine-3-carbonitrile
CID 659224
Ethyl 2-{[5-acetyl-3-cyano-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-2-pyridinyl]sulfanyl}acetate
CID 9550079
Pyridine-3-carbonitrile, 1,2-dihydro-5-acetyl-6-methyl-4-(2-thienyl)-2-thioxo-
CID 2746692
Cambridge id 5691193
CID 2862236

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide (CID 2862283) is 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide is CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccs1.
What is the InChIKey of 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide?
The InChIKey is NTTUARXTKDGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-8-13(9(2)19)14(11-4-3-5-21-11)10(6-16)15(18-8)22-7-12(17)20/h3-5,14,18H,7H2,1-2H3,(H2,17,20).
What are the key properties of 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide?
2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2862283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).