ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate

C17H22FNO5S — CID 55726489

IUPACethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)CSc1ccc(C(C)=O)cc1F
InChIInChI=1S/C17H22FNO5S/c1-4-24-17(22)10-19(7-8-23-3)16(21)11-25-15-6-5-13(12(2)20)9-14(15)18/h5-6,9H,4,7-8,10-11H2,1-3H3
InChIKeyFHDWPPLUOOYDMY-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.16
Rot. Bonds10

About ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate (PubChem CID 55726489) has the molecular formula C17H22FNO5S and a molecular weight of 371.43 g/mol. Its IUPAC name is ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate
PubChem CID55726489
Molecular FormulaC17H22FNO5S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)CSc1ccc(C(C)=O)cc1F
InChIInChI=1S/C17H22FNO5S/c1-4-24-17(22)10-19(7-8-23-3)16(21)11-25-15-6-5-13(12(2)20)9-14(15)18/h5-6,9H,4,7-8,10-11H2,1-3H3
InChIKeyFHDWPPLUOOYDMY-UHFFFAOYSA-N
XLogP2.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate (CID 55726489) is ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)CSc1ccc(C(C)=O)cc1F.
What is the InChIKey of ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is FHDWPPLUOOYDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO5S/c1-4-24-17(22)10-19(7-8-23-3)16(21)11-25-15-6-5-13(12(2)20)9-14(15)18/h5-6,9H,4,7-8,10-11H2,1-3H3.
What are the key properties of ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 371.43 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 55726489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).