2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide

C13H15FN2OS — CID 11402880

IUPAC2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(F)(C#N)Sc1ccccc1
InChIInChI=1S/C13H15FN2OS/c1-3-16(4-2)12(17)13(14,10-15)18-11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
InChIKeyVRHRHMBHSBAJLZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.84
Rot. Bonds5

About 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide

2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide (PubChem CID 11402880) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
PubChem CID11402880
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(F)(C#N)Sc1ccccc1
InChIInChI=1S/C13H15FN2OS/c1-3-16(4-2)12(17)13(14,10-15)18-11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
InChIKeyVRHRHMBHSBAJLZ-UHFFFAOYSA-N
XLogP2.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
N-(2-cyanoethyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8200018
N-(2-cyanoethyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8837243
n-(2-Cyanoethyl)-2-((2,5-difluorophenyl)thio)-N-methylacetamide
CID 43395533
N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
CID 15152841
1-(4-Methylpiperazin-1-yl)-3-(phenylsulfanyl)propan-1-one
CID 7369393
2,2,2-Trifluoro-1-(5-fluoro-4-(phenylthio)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one
CID 134827888
N,N-bis(cyanomethyl)-2-(phenylsulfanyl)acetamide
CID 797843
Acetamide, N,N-diethyl-2-(phenylthio)-
CID 846787
N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7964655
1-(Azetidin-1-yl)-2-[(4-fluorophenyl)sulfanyl]ethan-1-one
CID 25638844

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
The IUPAC name of 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide (CID 11402880) is 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide.
What is the SMILES notation for 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
The canonical SMILES for 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide is CCN(CC)C(=O)C(F)(C#N)Sc1ccccc1.
What is the InChIKey of 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
The InChIKey is VRHRHMBHSBAJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-3-16(4-2)12(17)13(14,10-15)18-11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide has a molecular weight of 266.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide is sourced from PubChem (CID 11402880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).