2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H10F3NO2S2 — CID 103726329

IUPAC2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CSc1cccs1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3NO2S2/c10-9(11,12)6(14)4-13-7(15)5-17-8-2-1-3-16-8/h1-3,6,14H,4-5H2,(H,13,15)
InChIKeyCUOXJGNEXFKMFW-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.88
Rot. Bonds5

About 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726329) has the molecular formula C9H10F3NO2S2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726329
Molecular FormulaC9H10F3NO2S2
Molecular Weight285.31 g/mol
Exact Mass285.01
IUPAC Name2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CSc1cccs1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3NO2S2/c10-9(11,12)6(14)4-13-7(15)5-17-8-2-1-3-16-8/h1-3,6,14H,4-5H2,(H,13,15)
InChIKeyCUOXJGNEXFKMFW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726329) is 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CSc1cccs1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is CUOXJGNEXFKMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S2/c10-9(11,12)6(14)4-13-7(15)5-17-8-2-1-3-16-8/h1-3,6,14H,4-5H2,(H,13,15).
What are the key properties of 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).