[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C17H13FN2O3S — CID 7355319

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESN#Cc1ccccc1NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C17H13FN2O3S/c18-13-6-2-4-8-15(13)24-11-17(22)23-10-16(21)20-14-7-3-1-5-12(14)9-19/h1-8H,10-11H2,(H,20,21)
InChIKeyPWYFQTGXQVOAEI-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.97
Rot. Bonds6

About [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355319) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355319
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESN#Cc1ccccc1NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C17H13FN2O3S/c18-13-6-2-4-8-15(13)24-11-17(22)23-10-16(21)20-14-7-3-1-5-12(14)9-19/h1-8H,10-11H2,(H,20,21)
InChIKeyPWYFQTGXQVOAEI-UHFFFAOYSA-N
XLogP2.97
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2433040
CID 2433040
CID 2616604
CID 2616604
CID 2381508
CID 2381508
CID 24687965
CID 24687965
CID 25163598
CID 25163598
CID 2382834
CID 2382834
CID 4385553
CID 4385553
CID 2353470
CID 2353470
CID 2616578
CID 2616578
CID 4849394
CID 4849394
CID 9119695
CID 9119695
CID 25162012
CID 25162012

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355319) is [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is N#Cc1ccccc1NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is PWYFQTGXQVOAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-13-6-2-4-8-15(13)24-11-17(22)23-10-16(21)20-14-7-3-1-5-12(14)9-19/h1-8H,10-11H2,(H,20,21).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 344.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).