2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C14H14FNO2S2 — CID 52992618

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C14H14FNO2S2/c15-11-1-3-12(4-2-11)20-9-14(18)16-7-13(17)10-5-6-19-8-10/h1-6,8,13,17H,7,9H2,(H,16,18)
InChIKeyKUUDNCYIHVAULD-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 52992618) has the molecular formula C14H14FNO2S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID52992618
Molecular FormulaC14H14FNO2S2
Molecular Weight311.40 g/mol
Exact Mass311.04
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C14H14FNO2S2/c15-11-1-3-12(4-2-11)20-9-14(18)16-7-13(17)10-5-6-19-8-10/h1-6,8,13,17H,7,9H2,(H,16,18)
InChIKeyKUUDNCYIHVAULD-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 52992618) is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is O=C(CSc1ccc(F)cc1)NCC(O)c1ccsc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is KUUDNCYIHVAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S2/c15-11-1-3-12(4-2-11)20-9-14(18)16-7-13(17)10-5-6-19-8-10/h1-6,8,13,17H,7,9H2,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 311.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 52992618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).