[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C17H15FN2O4S — CID 9059894

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)N1CCNC1=O
InChIInChI=1S/C17H15FN2O4S/c1-10(15(21)20-9-8-19-17(20)23)24-16(22)14-7-6-13(25-14)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyOUHHKEKMGQSMMW-SNVBAGLBSA-N
MW362.38 g/mol
LogP2.65
Rot. Bonds4

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 9059894) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID9059894
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)N1CCNC1=O
InChIInChI=1S/C17H15FN2O4S/c1-10(15(21)20-9-8-19-17(20)23)24-16(22)14-7-6-13(25-14)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyOUHHKEKMGQSMMW-SNVBAGLBSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192454
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate
CID 8943178
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 18091092
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 18098986
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059999
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 9059894) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate is C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is OUHHKEKMGQSMMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-10(15(21)20-9-8-19-17(20)23)24-16(22)14-7-6-13(25-14)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 9059894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).