2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide

C9H10F3NO2S2 — CID 81344045

IUPAC2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(CSCc1cccs1)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S2/c10-9(11,12)6-15-13-8(14)5-16-4-7-2-1-3-17-7/h1-3H,4-6H2,(H,13,14)
InChIKeyKDOUKCSIZAPMMW-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.59
Rot. Bonds6

About 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81344045) has the molecular formula C9H10F3NO2S2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81344045
Molecular FormulaC9H10F3NO2S2
Molecular Weight285.31 g/mol
Exact Mass285.01
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(CSCc1cccs1)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S2/c10-9(11,12)6-15-13-8(14)5-16-4-7-2-1-3-17-7/h1-3H,4-6H2,(H,13,14)
InChIKeyKDOUKCSIZAPMMW-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81344045) is 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide is O=C(CSCc1cccs1)NOCC(F)(F)F.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is KDOUKCSIZAPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S2/c10-9(11,12)6-15-13-8(14)5-16-4-7-2-1-3-17-7/h1-3H,4-6H2,(H,13,14).
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 285.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81344045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).