(2-oxo-1-phenylpropyl) thiophene-2-carboxylate

C14H12O3S — CID 134968020

IUPAC(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
SMILESCC(=O)C(OC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H12O3S/c1-10(15)13(11-6-3-2-4-7-11)17-14(16)12-8-5-9-18-12/h2-9,13H,1H3
InChIKeyTYUUIYOHXWLXCV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.24
Rot. Bonds4

About (2-oxo-1-phenylpropyl) thiophene-2-carboxylate

(2-oxo-1-phenylpropyl) thiophene-2-carboxylate (PubChem CID 134968020) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2-oxo-1-phenylpropyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
PubChem CID134968020
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
SMILESCC(=O)C(OC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H12O3S/c1-10(15)13(11-6-3-2-4-7-11)17-14(16)12-8-5-9-18-12/h2-9,13H,1H3
InChIKeyTYUUIYOHXWLXCV-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 7759895
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 7759957
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835498
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate
CID 71931883
phenyl thiophene-2-carboperoxoate
CID 91186228
1-aminopropan-2-yl thiophene-2-carboxylate
CID 175287982

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenylpropyl) thiophene-2-carboxylate?
The IUPAC name of (2-oxo-1-phenylpropyl) thiophene-2-carboxylate (CID 134968020) is (2-oxo-1-phenylpropyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-1-phenylpropyl) thiophene-2-carboxylate?
The canonical SMILES for (2-oxo-1-phenylpropyl) thiophene-2-carboxylate is CC(=O)C(OC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenylpropyl) thiophene-2-carboxylate?
The InChIKey is TYUUIYOHXWLXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-10(15)13(11-6-3-2-4-7-11)17-14(16)12-8-5-9-18-12/h2-9,13H,1H3.
What are the key properties of (2-oxo-1-phenylpropyl) thiophene-2-carboxylate?
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenylpropyl) thiophene-2-carboxylate is sourced from PubChem (CID 134968020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).