5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid

C14H15NO4S — CID 67842666

IUPAC5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccsc1
InChIInChI=1S/C14H15NO4S/c1-7-10(13(16)17)12(9-4-5-20-6-9)11(8(2)15-7)14(18)19-3/h4-6,12,15H,1-3H3,(H,16,17)
InChIKeyIOPJPRLRUXJYMG-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.24
Rot. Bonds3

About 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid

5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 67842666) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid
PubChem CID67842666
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccsc1
InChIInChI=1S/C14H15NO4S/c1-7-10(13(16)17)12(9-4-5-20-6-9)11(8(2)15-7)14(18)19-3/h4-6,12,15H,1-3H3,(H,16,17)
InChIKeyIOPJPRLRUXJYMG-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid (CID 67842666) is 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid is COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccsc1.
What is the InChIKey of 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is IOPJPRLRUXJYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-7-10(13(16)17)12(9-4-5-20-6-9)11(8(2)15-7)14(18)19-3/h4-6,12,15H,1-3H3,(H,16,17).
What are the key properties of 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid?
5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-2,6-dimethyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 67842666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).