2-(5-benzoylthiophen-2-yl)acetic acid

C13H10O3S — CID 3751763

IUPAC2-(5-benzoylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H10O3S/c14-12(15)8-10-6-7-11(17-10)13(16)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKeySYHLHAMHNNESGP-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.61
Rot. Bonds4

About 2-(5-benzoylthiophen-2-yl)acetic acid

2-(5-benzoylthiophen-2-yl)acetic acid (PubChem CID 3751763) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(5-benzoylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-benzoylthiophen-2-yl)acetic acid
PubChem CID3751763
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name2-(5-benzoylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H10O3S/c14-12(15)8-10-6-7-11(17-10)13(16)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKeySYHLHAMHNNESGP-UHFFFAOYSA-N
XLogP2.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
CID 72716719
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
CID 58795723
1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
CID 90613154
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
2-(5-carbamimidoylthiophen-2-yl)acetic acid
CID 21441146
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
CID 82885627
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
CID 67286373
2-[5-(N-hydroxy-C-thiophen-2-ylcarbonimidoyl)thiophen-2-yl]acetic acid
CID 6614337
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzoylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-benzoylthiophen-2-yl)acetic acid (CID 3751763) is 2-(5-benzoylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-benzoylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-benzoylthiophen-2-yl)acetic acid is O=C(O)Cc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-(5-benzoylthiophen-2-yl)acetic acid?
The InChIKey is SYHLHAMHNNESGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-12(15)8-10-6-7-11(17-10)13(16)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15).
What are the key properties of 2-(5-benzoylthiophen-2-yl)acetic acid?
2-(5-benzoylthiophen-2-yl)acetic acid has a molecular weight of 246.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzoylthiophen-2-yl)acetic acid is sourced from PubChem (CID 3751763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).