N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide

C17H17F2NOS — CID 49011781

IUPACN-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H17F2NOS/c1-22-11-17(21)20-16(13-5-3-7-15(19)10-13)9-12-4-2-6-14(18)8-12/h2-8,10,16H,9,11H2,1H3,(H,20,21)
InChIKeyFZUVPXNYOIJGAO-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.73
Rot. Bonds6

About N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide

N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide (PubChem CID 49011781) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
PubChem CID49011781
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC NameN-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H17F2NOS/c1-22-11-17(21)20-16(13-5-3-7-15(19)10-13)9-12-4-2-6-14(18)8-12/h2-8,10,16H,9,11H2,1H3,(H,20,21)
InChIKeyFZUVPXNYOIJGAO-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 49011755
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975659
N-[1,2-bis(3-fluorophenyl)ethyl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 49011641
(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
(E)-N-[1,2-bis(3-fluorophenyl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49334020
1,5-bis(3-fluorophenyl)-2,4-bis(4-methylsulfanylphenyl)pentan-3-one
CID 174373565
(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine
CID 124610865
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide (CID 49011781) is N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide is CSCC(=O)NC(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide?
The InChIKey is FZUVPXNYOIJGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c1-22-11-17(21)20-16(13-5-3-7-15(19)10-13)9-12-4-2-6-14(18)8-12/h2-8,10,16H,9,11H2,1H3,(H,20,21).
What are the key properties of N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide?
N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide has a molecular weight of 321.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 49011781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).