[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C14H11ClO4S2 — CID 2346982

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClO4S2/c15-13-5-4-12(21-13)10(17)8-19-14(18)6-3-9(16)11-2-1-7-20-11/h1-2,4-5,7H,3,6,8H2
InChIKeyGCSDYOGYMSVWKF-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.85
Rot. Bonds7

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2346982) has the molecular formula C14H11ClO4S2 and a molecular weight of 342.82 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2346982
Molecular FormulaC14H11ClO4S2
Molecular Weight342.82 g/mol
Exact Mass341.98
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClO4S2/c15-13-5-4-12(21-13)10(17)8-19-14(18)6-3-9(16)11-2-1-7-20-11/h1-2,4-5,7H,3,6,8H2
InChIKeyGCSDYOGYMSVWKF-UHFFFAOYSA-N
XLogP3.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2346982) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is GCSDYOGYMSVWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4S2/c15-13-5-4-12(21-13)10(17)8-19-14(18)6-3-9(16)11-2-1-7-20-11/h1-2,4-5,7H,3,6,8H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 342.82 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2346982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).