[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

C15H14ClNO4S — CID 7890955

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccs1
InChIInChI=1S/C15H14ClNO4S/c1-20-13-5-4-10(16)7-12(13)17-14(18)9-21-15(19)8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyAUKGWMLXIWDJTA-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.13
Rot. Bonds6

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 7890955) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID7890955
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccs1
InChIInChI=1S/C15H14ClNO4S/c1-20-13-5-4-10(16)7-12(13)17-14(18)9-21-15(19)8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyAUKGWMLXIWDJTA-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (CID 7890955) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccs1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is AUKGWMLXIWDJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-20-13-5-4-10(16)7-12(13)17-14(18)9-21-15(19)8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 339.80 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7890955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).