1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone

C15H17NO2S — CID 774774

IUPAC1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccs1
InChIInChI=1S/C15H17NO2S/c1-8-13(10(3)17)15(12-6-5-7-19-12)14(11(4)18)9(2)16-8/h5-7,15-16H,1-4H3
InChIKeyGQFVODNFCHEQTD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.16
Rot. Bonds3

About 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone

1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone (PubChem CID 774774) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone
PubChem CID774774
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccs1
InChIInChI=1S/C15H17NO2S/c1-8-13(10(3)17)15(12-6-5-7-19-12)14(11(4)18)9(2)16-8/h5-7,15-16H,1-4H3
InChIKeyGQFVODNFCHEQTD-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone 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

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
2-{[5-Acetyl-3-cyano-6-methyl-4-(2-thienyl)-1,4-dihydro-2-pyridinyl]thio}acetamide
CID 2862283
3,3,6,6-tetramethyl-9-(2-thienyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 335173
7,7-dimethyl-4-(3-methylthiophen-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997221
7-(thiophen-2-yl)-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 43841326
2,6-Dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
CID 947011
Cambridge id 5691328
CID 5725217
1-[5-Acetyl-4-(5-fluoro-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
CID 141701136
Sdccgsbi-0096864.P001
CID 2862350
Methyl 2-(5-acetyl-3-cyano-6-methyl-4-(2-thienyl)-2-1,4-dihydropyridylthio)ace tate
CID 3419739
5-Acetyl-2-butylsulfanyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
CID 2862343

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone (CID 774774) is 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone is CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccs1.
What is the InChIKey of 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone?
The InChIKey is GQFVODNFCHEQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-8-13(10(3)17)15(12-6-5-7-19-12)14(11(4)18)9(2)16-8/h5-7,15-16H,1-4H3.
What are the key properties of 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone?
1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone is sourced from PubChem (CID 774774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).