[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate

C14H16N2O6S — CID 8976431

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
SMILESC[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCNC1=O
InChIInChI=1S/C14H16N2O6S/c1-9(12(17)16-8-7-15-14(16)19)22-13(18)10-5-3-4-6-11(10)23(2,20)21/h3-6,9H,7-8H2,1-2H3,(H,15,19)/t9-/m1/s1
InChIKeyJCXUICODDSICLG-SECBINFHSA-N
MW340.36 g/mol
LogP0.19
Rot. Bonds4

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate (PubChem CID 8976431) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
PubChem CID8976431
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
SMILESC[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCNC1=O
InChIInChI=1S/C14H16N2O6S/c1-9(12(17)16-8-7-15-14(16)19)22-13(18)10-5-3-4-6-11(10)23(2,20)21/h3-6,9H,7-8H2,1-2H3,(H,15,19)/t9-/m1/s1
InChIKeyJCXUICODDSICLG-SECBINFHSA-N
XLogP0.19
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
CID 18091914
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 18080328
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[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] quinoline-2-carboxylate
CID 18090773
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384054
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384055
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 8951879
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-methylsulfonylbenzoate
CID 39939300

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate (CID 8976431) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate is C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate?
The InChIKey is JCXUICODDSICLG-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-9(12(17)16-8-7-15-14(16)19)22-13(18)10-5-3-4-6-11(10)23(2,20)21/h3-6,9H,7-8H2,1-2H3,(H,15,19)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate has a molecular weight of 340.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate is sourced from PubChem (CID 8976431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).