[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

C16H17NO4S — CID 2385440

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cc1cccs1
InChIInChI=1S/C16H17NO4S/c1-20-14-7-3-2-5-12(14)10-17-15(18)11-21-16(19)9-13-6-4-8-22-13/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyLMCDZBXCMUYAKU-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.16
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 2385440) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID2385440
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cc1cccs1
InChIInChI=1S/C16H17NO4S/c1-20-14-7-3-2-5-12(14)10-17-15(18)11-21-16(19)9-13-6-4-8-22-13/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyLMCDZBXCMUYAKU-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (CID 2385440) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is COc1ccccc1CNC(=O)COC(=O)Cc1cccs1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is LMCDZBXCMUYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-14-7-3-2-5-12(14)10-17-15(18)11-21-16(19)9-13-6-4-8-22-13/h2-8H,9-11H2,1H3,(H,17,18).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 319.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 2385440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).