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

C14H13F3N2O4S — CID 17396800

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate
SMILESCC(OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H13F3N2O4S/c1-8(11(20)19-7-6-18-13(19)22)23-12(21)9-2-4-10(5-3-9)24-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22)
InChIKeyUDPQBFSFABFRHV-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.40
Rot. Bonds4

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

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate (PubChem CID 17396800) has the molecular formula C14H13F3N2O4S and a molecular weight of 362.33 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate
PubChem CID17396800
Molecular FormulaC14H13F3N2O4S
Molecular Weight362.33 g/mol
Exact Mass362.05
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate
SMILESCC(OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H13F3N2O4S/c1-8(11(20)19-7-6-18-13(19)22)23-12(21)9-2-4-10(5-3-9)24-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22)
InChIKeyUDPQBFSFABFRHV-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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] 4-(dimethylamino)benzoate
CID 18090949
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 8951879
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[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
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 9H-fluorene-3-carboxylate
CID 41410396
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-pyrrol-1-ylbenzoate
CID 18092347
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-amino-3-nitrobenzoate
CID 46619837
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 30977169

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate (CID 17396800) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate is CC(OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate?
The InChIKey is UDPQBFSFABFRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S/c1-8(11(20)19-7-6-18-13(19)22)23-12(21)9-2-4-10(5-3-9)24-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate has a molecular weight of 362.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate is sourced from PubChem (CID 17396800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).