(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate

C17H16FNO3S — CID 86979994

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C17H16FNO3S/c18-13-6-2-1-5-12(13)14-7-8-15(23-14)17(21)22-11-16(20)19-9-3-4-10-19/h1-2,5-8H,3-4,9-11H2
InChIKeyHKYJPLVBASLEPY-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.33
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate (PubChem CID 86979994) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate
PubChem CID86979994
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C17H16FNO3S/c18-13-6-2-1-5-12(13)14-7-8-15(23-14)17(21)22-11-16(20)19-9-3-4-10-19/h1-2,5-8H,3-4,9-11H2
InChIKeyHKYJPLVBASLEPY-UHFFFAOYSA-N
XLogP3.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 18085272
(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
CID 2356154
[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502753
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(azepan-1-yl)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062031
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
CID 43154054
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
CID 29461353
N,N-diethyl-2-[4-[5-(2-fluorophenyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55830153
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate (CID 86979994) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate is O=C(OCC(=O)N1CCCC1)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is HKYJPLVBASLEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-13-6-2-1-5-12(13)14-7-8-15(23-14)17(21)22-11-16(20)19-9-3-4-10-19/h1-2,5-8H,3-4,9-11H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 86979994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).