2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

C16H13FN2OS — CID 71859901

IUPAC2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESN#Cc1cccc(SCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C16H13FN2OS/c17-15-7-2-1-5-13(15)10-19-16(20)11-21-14-6-3-4-12(8-14)9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyHYNMOWSCNXXPMG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.11
Rot. Bonds5

About 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 71859901) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID71859901
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESN#Cc1cccc(SCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C16H13FN2OS/c17-15-7-2-1-5-13(15)10-19-16(20)11-21-14-6-3-4-12(8-14)9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyHYNMOWSCNXXPMG-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71853113
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809861
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (CID 71859901) is 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is N#Cc1cccc(SCC(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is HYNMOWSCNXXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-15-7-2-1-5-13(15)10-19-16(20)11-21-14-6-3-4-12(8-14)9-18/h1-8H,10-11H2,(H,19,20).
What are the key properties of 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 71859901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).