[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C17H16FNO5S — CID 8521287

IUPAC[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)COc2ccccc2F)s1
InChIInChI=1S/C17H16FNO5S/c1-11(20)19-8-12-6-7-16(25-12)14(21)9-24-17(22)10-23-15-5-3-2-4-13(15)18/h2-7H,8-10H2,1H3,(H,19,20)
InChIKeyKJSRYPYFHQAWCH-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.33
Rot. Bonds8

About [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 8521287) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID8521287
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)COc2ccccc2F)s1
InChIInChI=1S/C17H16FNO5S/c1-11(20)19-8-12-6-7-16(25-12)14(21)9-24-17(22)10-23-15-5-3-2-4-13(15)18/h2-7H,8-10H2,1H3,(H,19,20)
InChIKeyKJSRYPYFHQAWCH-UHFFFAOYSA-N
XLogP2.33
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 8522827
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 46645086
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8521613
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 8522614
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 30911191
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520271
N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8520584
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8521825
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 27350415
N-[[5-[2-(2-chloro-5-methylphenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 78800846
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 8569042
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 8514669

Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 8521287) is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is CC(=O)NCc1ccc(C(=O)COC(=O)COc2ccccc2F)s1.
What is the InChIKey of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is KJSRYPYFHQAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-11(20)19-8-12-6-7-16(25-12)14(21)9-24-17(22)10-23-15-5-3-2-4-13(15)18/h2-7H,8-10H2,1H3,(H,19,20).
What are the key properties of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 365.38 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 8521287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).