[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate

C14H17FN2O4S — CID 4781165

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCCCNC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C14H17FN2O4S/c1-2-7-16-14(20)17-12(18)8-21-13(19)9-22-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,20)
InChIKeyZFHGYMASSLKTLA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.70
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 4781165) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID4781165
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCCCNC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C14H17FN2O4S/c1-2-7-16-14(20)17-12(18)8-21-13(19)9-22-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,20)
InChIKeyZFHGYMASSLKTLA-UHFFFAOYSA-N
XLogP1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Carbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2400173
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
[2-(Cyclopropylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 4857152
N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 16504456
(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 2591684
(2S)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 2591686
2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 2591691
2-(2-fluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2591696
N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2635102
(2R)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 2639558
(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 2639559
2-(4-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 2647908

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 4781165) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate is CCCNC(=O)NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is ZFHGYMASSLKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-2-7-16-14(20)17-12(18)8-21-13(19)9-22-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 328.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 4781165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).