2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide

C9H9ClF3NO2S2 — CID 81341155

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NOCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO2S2/c10-7-2-1-6(18-7)3-17-4-8(15)14-16-5-9(11,12)13/h1-2H,3-5H2,(H,14,15)
InChIKeyYANJQXFDJAQPIW-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.24
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81341155) has the molecular formula C9H9ClF3NO2S2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81341155
Molecular FormulaC9H9ClF3NO2S2
Molecular Weight319.76 g/mol
Exact Mass318.97
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NOCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO2S2/c10-7-2-1-6(18-7)3-17-4-8(15)14-16-5-9(11,12)13/h1-2H,3-5H2,(H,14,15)
InChIKeyYANJQXFDJAQPIW-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide 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 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide (CID 81341155) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide is O=C(CSCc1ccc(Cl)s1)NOCC(F)(F)F.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YANJQXFDJAQPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2S2/c10-7-2-1-6(18-7)3-17-4-8(15)14-16-5-9(11,12)13/h1-2H,3-5H2,(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 319.76 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81341155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).