2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid

C20H14O4S2 — CID 58337842

IUPAC2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1
InChIInChI=1S/C20H14O4S2/c1-11-6-7-17(26-11)13-10-25-18(19(13)20(22)23)9-14(21)16-8-12-4-2-3-5-15(12)24-16/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeySVEISAWARCZSAZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.65
Rot. Bonds5

About 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid

2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid (PubChem CID 58337842) has the molecular formula C20H14O4S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid
PubChem CID58337842
Molecular FormulaC20H14O4S2
Molecular Weight382.46 g/mol
Exact Mass382.03
IUPAC Name2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1
InChIInChI=1S/C20H14O4S2/c1-11-6-7-17(26-11)13-10-25-18(19(13)20(22)23)9-14(21)16-8-12-4-2-3-5-15(12)24-16/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeySVEISAWARCZSAZ-UHFFFAOYSA-N
XLogP5.65
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid
CID 58337878
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid
CID 58337780
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(4-chloro-3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 58295311
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 58337803
2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 58295458
4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid
CID 58191702
2-(1-benzofuran-2-carbonylamino)-4-phenylthiophene-3-carboxylic acid
CID 2360560
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid (CID 58337842) is 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid is Cc1ccc(-c2csc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid?
The InChIKey is SVEISAWARCZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4S2/c1-11-6-7-17(26-11)13-10-25-18(19(13)20(22)23)9-14(21)16-8-12-4-2-3-5-15(12)24-16/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid?
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58337842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).