[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate

C17H15FN2O5S — CID 11927399

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
SMILESC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN2O5S/c1-26(24)14-9-5-2-6-11(14)16(22)25-10-15(21)20-17(23)19-13-8-4-3-7-12(13)18/h2-9H,10H2,1H3,(H2,19,20,21,23)/t26-/m0/s1
InChIKeyRQVYCOOKDGGVFO-SANMLTNESA-N
MW378.38 g/mol
LogP2.07
Rot. Bonds5

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate (PubChem CID 11927399) has the molecular formula C17H15FN2O5S and a molecular weight of 378.38 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
PubChem CID11927399
Molecular FormulaC17H15FN2O5S
Molecular Weight378.38 g/mol
Exact Mass378.07
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
SMILESC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN2O5S/c1-26(24)14-9-5-2-6-11(14)16(22)25-10-15(21)20-17(23)19-13-8-4-3-7-12(13)18/h2-9H,10H2,1H3,(H2,19,20,21,23)/t26-/m0/s1
InChIKeyRQVYCOOKDGGVFO-SANMLTNESA-N
XLogP2.07
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
[2-(4-fluoroanilino)-2-oxoethyl] 2-methylsulfinylbenzoate
CID 4828782
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927308
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927306
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11926992
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926732
[2-(2-nitroanilino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926863
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927108
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7826073
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926869
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11926927

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate (CID 11927399) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate is C[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate?
The InChIKey is RQVYCOOKDGGVFO-SANMLTNESA-N. The full InChI is InChI=1S/C17H15FN2O5S/c1-26(24)14-9-5-2-6-11(14)16(22)25-10-15(21)20-17(23)19-13-8-4-3-7-12(13)18/h2-9H,10H2,1H3,(H2,19,20,21,23)/t26-/m0/s1.
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate has a molecular weight of 378.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate is sourced from PubChem (CID 11927399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).