N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide

C17H16FNO2S2 — CID 60514090

IUPACN-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)CSc2ccc(F)cc2)ccc1NC(C)=O
InChIInChI=1S/C17H16FNO2S2/c1-11(20)19-15-8-3-12(9-17(15)22-2)16(21)10-23-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyUEEDJLGXYTVYLY-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide

N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 60514090) has the molecular formula C17H16FNO2S2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide
PubChem CID60514090
Molecular FormulaC17H16FNO2S2
Molecular Weight349.45 g/mol
Exact Mass349.06
IUPAC NameN-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)CSc2ccc(F)cc2)ccc1NC(C)=O
InChIInChI=1S/C17H16FNO2S2/c1-11(20)19-15-8-3-12(9-17(15)22-2)16(21)10-23-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyUEEDJLGXYTVYLY-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55770306
N-[2-methylsulfanyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045910
N-[2-methylsulfanyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045881
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923
N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide
CID 47045898
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
N-[4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55770035
N-[2-methylsulfanyl-4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 55770220
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
CID 60513452
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide (CID 60514090) is N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide is CSc1cc(C(=O)CSc2ccc(F)cc2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is UEEDJLGXYTVYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S2/c1-11(20)19-15-8-3-12(9-17(15)22-2)16(21)10-23-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide?
N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 60514090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).