[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate

C15H14O4S2 — CID 18123266

IUPAC[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)sc2C)s1
InChIInChI=1S/C15H14O4S2/c1-8-6-11(10(3)20-8)12(17)7-19-15(18)14-5-4-13(21-14)9(2)16/h4-6H,7H2,1-3H3
InChIKeyHSWFCDQDXRCWLO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds5

About [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate (PubChem CID 18123266) has the molecular formula C15H14O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
PubChem CID18123266
Molecular FormulaC15H14O4S2
Molecular Weight322.41 g/mol
Exact Mass322.03
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)sc2C)s1
InChIInChI=1S/C15H14O4S2/c1-8-6-11(10(3)20-8)12(17)7-19-15(18)14-5-4-13(21-14)9(2)16/h4-6H,7H2,1-3H3
InChIKeyHSWFCDQDXRCWLO-UHFFFAOYSA-N
XLogP3.67
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 8861754
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18145228
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7604414
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 9059199
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 8955385
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7603594
[2-(4-acetylanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648305
[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 166197271
2-but-2-enoxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 76938323
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7594123

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate (CID 18123266) is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate is CC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)sc2C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The InChIKey is HSWFCDQDXRCWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S2/c1-8-6-11(10(3)20-8)12(17)7-19-15(18)14-5-4-13(21-14)9(2)16/h4-6H,7H2,1-3H3.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate is sourced from PubChem (CID 18123266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).