1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one

C21H16FNO3S2 — CID 18926274

IUPAC1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one
SMILESO=C(CSC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccsc1
InChIInChI=1S/C21H16FNO3S2/c22-15-3-5-16(6-4-15)23-19(13-1-7-17(24)8-2-13)20(21(23)26)28-12-18(25)14-9-10-27-11-14/h1-11,19-20,24H,12H2
InChIKeyHADWTWKADIFHCZ-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.67
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one

1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one (PubChem CID 18926274) has the molecular formula C21H16FNO3S2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one
PubChem CID18926274
Molecular FormulaC21H16FNO3S2
Molecular Weight413.50 g/mol
Exact Mass413.06
IUPAC Name1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one
SMILESO=C(CSC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccsc1
InChIInChI=1S/C21H16FNO3S2/c22-15-3-5-16(6-4-15)23-19(13-1-7-17(24)8-2-13)20(21(23)26)28-12-18(25)14-9-10-27-11-14/h1-11,19-20,24H,12H2
InChIKeyHADWTWKADIFHCZ-UHFFFAOYSA-N
XLogP4.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one (CID 18926274) is 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one is O=C(CSC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one?
The InChIKey is HADWTWKADIFHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3S2/c22-15-3-5-16(6-4-15)23-19(13-1-7-17(24)8-2-13)20(21(23)26)28-12-18(25)14-9-10-27-11-14/h1-11,19-20,24H,12H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one?
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one has a molecular weight of 413.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(2-oxo-2-thiophen-3-ylethyl)sulfanylazetidin-2-one is sourced from PubChem (CID 18926274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).