N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide

C17H13FN2O2S — CID 91662349

IUPACN-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
SMILESN#Cc1cc(F)ccc1NC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C17H13FN2O2S/c18-14-6-7-15(13(8-14)9-19)20-17(22)11-23-10-16(21)12-4-2-1-3-5-12/h1-8H,10-11H2,(H,20,22)
InChIKeyGTZYGOPILZKWKE-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.25
Rot. Bonds6

About N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide

N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide (PubChem CID 91662349) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
PubChem CID91662349
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
SMILESN#Cc1cc(F)ccc1NC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C17H13FN2O2S/c18-14-6-7-15(13(8-14)9-19)20-17(22)11-23-10-16(21)12-4-2-1-3-5-12/h1-8H,10-11H2,(H,20,22)
InChIKeyGTZYGOPILZKWKE-UHFFFAOYSA-N
XLogP3.25
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
1-benzyl-3-(2-cyano-4-fluorophenyl)-1-methylurea
CID 78839682

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide (CID 91662349) is N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide is N#Cc1cc(F)ccc1NC(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide?
The InChIKey is GTZYGOPILZKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-14-6-7-15(13(8-14)9-19)20-17(22)11-23-10-16(21)12-4-2-1-3-5-12/h1-8H,10-11H2,(H,20,22).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide?
N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide has a molecular weight of 328.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 91662349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).