(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate

C14H11ClO3S — CID 55306617

IUPAC(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(Cl)s1)C(=O)c1ccccc1
InChIInChI=1S/C14H11ClO3S/c1-9(13(16)10-5-3-2-4-6-10)18-14(17)11-7-8-12(15)19-11/h2-9H,1H3
InChIKeyLIASPSWFYXYWMA-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.83
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate

(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate (PubChem CID 55306617) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate
PubChem CID55306617
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(Cl)s1)C(=O)c1ccccc1
InChIInChI=1S/C14H11ClO3S/c1-9(13(16)10-5-3-2-4-6-10)18-14(17)11-7-8-12(15)19-11/h2-9H,1H3
InChIKeyLIASPSWFYXYWMA-UHFFFAOYSA-N
XLogP3.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 8939932
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7284005
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146703
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146722
(1-oxo-1-phenylpropan-2-yl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 16577434
[1-(4-methylphenyl)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
CID 18123195
(1-oxo-1-phenylpropan-2-yl) 6-chloropyridine-3-carboxylate
CID 55313890
phenyl 5-chlorothiophene-2-carboxylate
CID 84819861
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146771
[1-(3-methylanilino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 42981071
[(2R)-1-oxo-1-phenylpropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 41188401
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate (CID 55306617) is (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate is CC(OC(=O)c1ccc(Cl)s1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate?
The InChIKey is LIASPSWFYXYWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-9(13(16)10-5-3-2-4-6-10)18-14(17)11-7-8-12(15)19-11/h2-9H,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate?
(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate has a molecular weight of 294.76 g/mol, XLogP of 3.83, 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) 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 55306617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).