[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C12H9ClO3S2 — CID 2346958

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C12H9ClO3S2/c1-7-2-3-10(17-7)12(15)16-6-8(14)9-4-5-11(13)18-9/h2-5H,6H2,1H3
InChIKeyFJOHGXGBKDFIAZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.81
Rot. Bonds4

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2346958) has the molecular formula C12H9ClO3S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2346958
Molecular FormulaC12H9ClO3S2
Molecular Weight300.79 g/mol
Exact Mass299.97
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C12H9ClO3S2/c1-7-2-3-10(17-7)12(15)16-6-8(14)9-4-5-11(13)18-9/h2-5H,6H2,1H3
InChIKeyFJOHGXGBKDFIAZ-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Chlorothiophen-2-yl)-3-(thiophen-2-yl)-2,5-dihydrofuran-2-one
CID 2377702
Ethyl 5-chlorothiophene-2-carboxylate
CID 521808
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2346982
[2-(3-Chlorophenyl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2357769
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2394114
2-(Tert-butoxy)ethyl 5-chlorothiophene-2-carboxylate
CID 13376219
Isopropyl 5-chloro-2-thiophenecarboxylate
CID 60644560
Methyl 4-chlorothiophene-2-carboxylate;methyl 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylate;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 167533577
Tert-butyl 5-chlorothiophene-2-carboxylate
CID 63896634
[(1R)-2-oxo-1,2-dithiophen-2-ylethyl] butanoate
CID 154715727
Dimethyl 3-(2-oxo-2-thiophen-2-ylethyl)sulfanylthiophene-2,5-dicarboxylate
CID 177693590
(2-Oxo-2-thiophen-2-ylethyl) thiophene-2-carboxylate
CID 178341928

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2346958) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is FJOHGXGBKDFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3S2/c1-7-2-3-10(17-7)12(15)16-6-8(14)9-4-5-11(13)18-9/h2-5H,6H2,1H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 300.79 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2346958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).