methyl 2-(5-benzoylthiophen-2-yl)propanoate

C15H14O3S — CID 527330

IUPACmethyl 2-(5-benzoylthiophen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H14O3S/c1-10(15(17)18-2)12-8-9-13(19-12)14(16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyLUVJXUXGNTWIHI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-(5-benzoylthiophen-2-yl)propanoate

methyl 2-(5-benzoylthiophen-2-yl)propanoate (PubChem CID 527330) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-(5-benzoylthiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-benzoylthiophen-2-yl)propanoate
PubChem CID527330
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Namemethyl 2-(5-benzoylthiophen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H14O3S/c1-10(15(17)18-2)12-8-9-13(19-12)14(16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyLUVJXUXGNTWIHI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R)-2-(5-benzoylthiophen-2-yl)propanoyl]oxypropanethioic S-acid
CID 125121137
2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid
CID 124835675
[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
CID 151984178
2-(5-benzoylthiophen-2-yl)propanenitrile
CID 67369420
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
(2R)-2-(5-benzoylthiophen-2-yl)-4-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyacetyl]oxyethoxy]-2-methyl-4-oxobutanoic acid
CID 124914059
2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 52916404
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate
CID 174336148
methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
CID 91663330
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-benzoylthiophen-2-yl)propanoate?
The IUPAC name of methyl 2-(5-benzoylthiophen-2-yl)propanoate (CID 527330) is methyl 2-(5-benzoylthiophen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(5-benzoylthiophen-2-yl)propanoate?
The canonical SMILES for methyl 2-(5-benzoylthiophen-2-yl)propanoate is COC(=O)C(C)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of methyl 2-(5-benzoylthiophen-2-yl)propanoate?
The InChIKey is LUVJXUXGNTWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10(15(17)18-2)12-8-9-13(19-12)14(16)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of methyl 2-(5-benzoylthiophen-2-yl)propanoate?
methyl 2-(5-benzoylthiophen-2-yl)propanoate has a molecular weight of 274.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-benzoylthiophen-2-yl)propanoate is sourced from PubChem (CID 527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).