2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide

C15H14FNO2S — CID 86077591

IUPAC2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C15H14FNO2S/c16-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyPAYFUGXNQOOZDV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds5

About 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide

2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 86077591) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
PubChem CID86077591
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C15H14FNO2S/c16-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyPAYFUGXNQOOZDV-UHFFFAOYSA-N
XLogP2.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411314
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-benzylsulfinylacetamide;ethane
CID 91390108
2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
CID 11536986
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
CID 147101332
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
2-[(R)-dibenzofuran-2-ylmethylsulfinyl]acetamide
CID 129383109
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide
CID 129411313
1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one
CID 64638454
methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543594

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide (CID 86077591) is 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1cccc(-c2ccccc2F)c1.
What is the InChIKey of 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is PAYFUGXNQOOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide?
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 86077591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).