1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone

C14H13FOS2 — CID 43222169

IUPAC1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
SMILESCCc1ccc(C(=O)CSc2ccc(F)cc2)s1
InChIInChI=1S/C14H13FOS2/c1-2-11-7-8-14(18-11)13(16)9-17-12-5-3-10(15)4-6-12/h3-8H,2,9H2,1H3
InChIKeyFZLJPWDIYKFREC-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.42
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone

1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone (PubChem CID 43222169) has the molecular formula C14H13FOS2 and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
PubChem CID43222169
Molecular FormulaC14H13FOS2
Molecular Weight280.39 g/mol
Exact Mass280.04
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
SMILESCCc1ccc(C(=O)CSc2ccc(F)cc2)s1
InChIInChI=1S/C14H13FOS2/c1-2-11-7-8-14(18-11)13(16)9-17-12-5-3-10(15)4-6-12/h3-8H,2,9H2,1H3
InChIKeyFZLJPWDIYKFREC-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43224827
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
1-(5-ethylthiophen-2-yl)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24519663
2-[5-[2-(4-methylphenyl)sulfanylacetyl]thiophen-2-yl]acetate
CID 6930231
1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 60659817
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 60659668
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376823
4-ethyl-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 55023861
1-(5-ethylthiophen-2-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 8509121
1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
CID 43160928

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone (CID 43222169) is 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone is CCc1ccc(C(=O)CSc2ccc(F)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone?
The InChIKey is FZLJPWDIYKFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS2/c1-2-11-7-8-14(18-11)13(16)9-17-12-5-3-10(15)4-6-12/h3-8H,2,9H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone?
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone has a molecular weight of 280.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 43222169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).