2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide

C13H16FNO3S — CID 114233158

IUPAC2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO3S/c1-15(2)13(17)9-19(18)8-12(16)7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyJRMZSBLXYYGVJT-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.77
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide

2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide (PubChem CID 114233158) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide
PubChem CID114233158
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO3S/c1-15(2)13(17)9-19(18)8-12(16)7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyJRMZSBLXYYGVJT-UHFFFAOYSA-N
XLogP0.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide
CID 114233485
1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
CID 64636130
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
CID 75379567
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
CID 115477416
1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
CID 112661956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide (CID 114233158) is 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide?
The InChIKey is JRMZSBLXYYGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-15(2)13(17)9-19(18)8-12(16)7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide?
2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide has a molecular weight of 285.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide is sourced from PubChem (CID 114233158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).