2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide

C18H20FNO2S — CID 54303272

IUPAC2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide
SMILESCC(c1ccc(-c2ccccc2F)cc1)S(=O)CC(=O)N(C)C
InChIInChI=1S/C18H20FNO2S/c1-13(23(22)12-18(21)20(2)3)14-8-10-15(11-9-14)16-6-4-5-7-17(16)19/h4-11,13H,12H2,1-3H3
InChIKeySFSODODMDBNMIS-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide

2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide (PubChem CID 54303272) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide
PubChem CID54303272
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide
SMILESCC(c1ccc(-c2ccccc2F)cc1)S(=O)CC(=O)N(C)C
InChIInChI=1S/C18H20FNO2S/c1-13(23(22)12-18(21)20(2)3)14-8-10-15(11-9-14)16-6-4-5-7-17(16)19/h4-11,13H,12H2,1-3H3
InChIKeySFSODODMDBNMIS-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide (CID 54303272) is 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide is CC(c1ccc(-c2ccccc2F)cc1)S(=O)CC(=O)N(C)C.
What is the InChIKey of 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide?
The InChIKey is SFSODODMDBNMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(23(22)12-18(21)20(2)3)14-8-10-15(11-9-14)16-6-4-5-7-17(16)19/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide?
2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide has a molecular weight of 333.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 54303272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).