2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H12ClF3N2OS — CID 54962002

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClF3N2OS/c1-6(7-2-3-8(11)18-7)15-4-9(17)16-5-10(12,13)14/h2-3,6,15H,4-5H2,1H3,(H,16,17)
InChIKeyJQODSWFRSSTIDW-UHFFFAOYSA-N
MW300.73 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54962002) has the molecular formula C10H12ClF3N2OS and a molecular weight of 300.73 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54962002
Molecular FormulaC10H12ClF3N2OS
Molecular Weight300.73 g/mol
Exact Mass300.03
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClF3N2OS/c1-6(7-2-3-8(11)18-7)15-4-9(17)16-5-10(12,13)14/h2-3,6,15H,4-5H2,1H3,(H,16,17)
InChIKeyJQODSWFRSSTIDW-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54962002) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC(NCC(=O)NCC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JQODSWFRSSTIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2OS/c1-6(7-2-3-8(11)18-7)15-4-9(17)16-5-10(12,13)14/h2-3,6,15H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 300.73 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54962002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).