[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate

C18H18FNO4S — CID 1470258

IUPAC[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H18FNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-2-10-25-15)17(21)20-11-14-3-1-9-23-14/h2,4-8,10,14,16H,1,3,9,11H2,(H,20,21)/t14-,16+/m0/s1
InChIKeyLKRPCOTWGDDGEO-GOEBONIOSA-N
MW363.41 g/mol
LogP3.08
Rot. Bonds6

About [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate

[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate (PubChem CID 1470258) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
PubChem CID1470258
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H18FNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-2-10-25-15)17(21)20-11-14-3-1-9-23-14/h2,4-8,10,14,16H,1,3,9,11H2,(H,20,21)/t14-,16+/m0/s1
InChIKeyLKRPCOTWGDDGEO-GOEBONIOSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate with MolForge

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Related Compounds

[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470171
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
CID 1470209
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16599980
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
CID 95591821

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate (CID 1470258) is [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate is O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1)c1cccs1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
The InChIKey is LKRPCOTWGDDGEO-GOEBONIOSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-2-10-25-15)17(21)20-11-14-3-1-9-23-14/h2,4-8,10,14,16H,1,3,9,11H2,(H,20,21)/t14-,16+/m0/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate?
[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1470258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).