[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate

C14H14F2N2O6S — CID 8951879

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
SMILESC[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14F2N2O6S/c1-8(11(19)18-7-6-17-14(18)21)24-12(20)9-2-4-10(5-3-9)25(22,23)13(15)16/h2-5,8,13H,6-7H2,1H3,(H,17,21)/t8-/m0/s1
InChIKeyNLODULMARCIDLM-QMMMGPOBSA-N
MW376.34 g/mol
LogP0.78
Rot. Bonds5

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate (PubChem CID 8951879) has the molecular formula C14H14F2N2O6S and a molecular weight of 376.34 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
PubChem CID8951879
Molecular FormulaC14H14F2N2O6S
Molecular Weight376.34 g/mol
Exact Mass376.05
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
SMILESC[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14F2N2O6S/c1-8(11(19)18-7-6-17-14(18)21)24-12(20)9-2-4-10(5-3-9)25(22,23)13(15)16/h2-5,8,13H,6-7H2,1H3,(H,17,21)/t8-/m0/s1
InChIKeyNLODULMARCIDLM-QMMMGPOBSA-N
XLogP0.78
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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] 4-iodobenzoate
CID 18090807
[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] 4-(trifluoromethylsulfanyl)benzoate
CID 17396800
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 41213578
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46617596
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382216
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-amino-3-nitrobenzoate
CID 46619837
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987332

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate (CID 8951879) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate is C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate?
The InChIKey is NLODULMARCIDLM-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14F2N2O6S/c1-8(11(19)18-7-6-17-14(18)21)24-12(20)9-2-4-10(5-3-9)25(22,23)13(15)16/h2-5,8,13H,6-7H2,1H3,(H,17,21)/t8-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate has a molecular weight of 376.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate is sourced from PubChem (CID 8951879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).