[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

C17H15ClO6S — CID 29220332

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClO6S/c1-10(19)11-3-4-13(14(7-11)22-2)23-9-17(21)24-8-12(20)15-5-6-16(18)25-15/h3-7H,8-9H2,1-2H3
InChIKeyUNUSGGBWPPCXKQ-UHFFFAOYSA-N
MW382.82 g/mol
LogP3.42
Rot. Bonds8

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 29220332) has the molecular formula C17H15ClO6S and a molecular weight of 382.82 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID29220332
Molecular FormulaC17H15ClO6S
Molecular Weight382.82 g/mol
Exact Mass382.03
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClO6S/c1-10(19)11-3-4-13(14(7-11)22-2)23-9-17(21)24-8-12(20)15-5-6-16(18)25-15/h3-7H,8-9H2,1-2H3
InChIKeyUNUSGGBWPPCXKQ-UHFFFAOYSA-N
XLogP3.42
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-ethyl-2-methoxyphenoxy)ethanone
CID 107666440
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(2-methoxy-4-prop-1-enylphenoxy)acetate
CID 3383524
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539752
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902728
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 35533335
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7791065
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539686
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526164

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 29220332) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is UNUSGGBWPPCXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO6S/c1-10(19)11-3-4-13(14(7-11)22-2)23-9-17(21)24-8-12(20)15-5-6-16(18)25-15/h3-7H,8-9H2,1-2H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 382.82 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 29220332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).