[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C15H19FN2O4S — CID 7676481

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C15H19FN2O4S/c1-3-10(2)17-15(21)18-13(19)8-22-14(20)9-23-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m1/s1
InChIKeyUXBUAAZPYFDBSE-SNVBAGLBSA-N
MW342.39 g/mol
LogP2.09
Rot. Bonds7

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7676481) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7676481
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C15H19FN2O4S/c1-3-10(2)17-15(21)18-13(19)8-22-14(20)9-23-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m1/s1
InChIKeyUXBUAAZPYFDBSE-SNVBAGLBSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate with MolForge

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Related Compounds

[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676122
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 9484446
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506554
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8984222
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676164
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806754
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8523115
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878278
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789096

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7676481) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is UXBUAAZPYFDBSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-3-10(2)17-15(21)18-13(19)8-22-14(20)9-23-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 342.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7676481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).