2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide

C16H15F2NO3S — CID 11960308

IUPAC2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide
SMILESCONC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO3S/c1-22-19-15(20)10-23(21)16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyVHYRPWIJUOAPGE-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.48
Rot. Bonds6

About 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide

2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide (PubChem CID 11960308) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide
PubChem CID11960308
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide
SMILESCONC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO3S/c1-22-19-15(20)10-23(21)16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyVHYRPWIJUOAPGE-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 129385832
2-[bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 13316557
ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
CID 141367821
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
CID 67474857
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl 2-(4-fluorophenyl)but-3-enoate
CID 146844756
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
bis[[(S)-bis(4-fluorophenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504422
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide (CID 11960308) is 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide is CONC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide?
The InChIKey is VHYRPWIJUOAPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-22-19-15(20)10-23(21)16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide?
2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide has a molecular weight of 339.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide is sourced from PubChem (CID 11960308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).