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

C10H11ClF3NOS2 — CID 78865538

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C10H11ClF3NOS2/c1-15(6-10(12,13)14)9(16)5-17-4-7-2-3-8(11)18-7/h2-3H,4-6H2,1H3
InChIKeyIUUCRNUKYLBAHJ-UHFFFAOYSA-N
MW317.79 g/mol
LogP3.66
Rot. Bonds5

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78865538) has the molecular formula C10H11ClF3NOS2 and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78865538
Molecular FormulaC10H11ClF3NOS2
Molecular Weight317.79 g/mol
Exact Mass316.99
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C10H11ClF3NOS2/c1-15(6-10(12,13)14)9(16)5-17-4-7-2-3-8(11)18-7/h2-3H,4-6H2,1H3
InChIKeyIUUCRNUKYLBAHJ-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78865538) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IUUCRNUKYLBAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NOS2/c1-15(6-10(12,13)14)9(16)5-17-4-7-2-3-8(11)18-7/h2-3H,4-6H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 317.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78865538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).