(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate

C15H14O3S — CID 55318694

IUPAC(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-10-8-9-19-14(10)15(17)18-11(2)13(16)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyRDIDDEPRPFJHKV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.48
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate

(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate (PubChem CID 55318694) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate
PubChem CID55318694
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-10-8-9-19-14(10)15(17)18-11(2)13(16)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyRDIDDEPRPFJHKV-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 8863407
[(2R)-1-oxo-1-phenylpropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 41188401
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7504742
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-methylthiophene-2-carboxylate
CID 46619711
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 2086652
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413613
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7837650
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 2502378
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7504677
(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate
CID 55306617
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-methylsulfonylbenzoate
CID 39939300

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate (CID 55318694) is (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OC(C)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate?
The InChIKey is RDIDDEPRPFJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10-8-9-19-14(10)15(17)18-11(2)13(16)12-6-4-3-5-7-12/h3-9,11H,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate?
(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 55318694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).