N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H17F3N2O2S — CID 86990243

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(C)C(CNC(=O)COCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H17F3N2O2S/c1-17(2)9(10-4-3-5-20-10)6-16-11(18)7-19-8-12(13,14)15/h3-5,9H,6-8H2,1-2H3,(H,16,18)
InChIKeySMSSHQNELZBTQF-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.05
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990243) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990243
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(C)C(CNC(=O)COCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H17F3N2O2S/c1-17(2)9(10-4-3-5-20-10)6-16-11(18)7-19-8-12(13,14)15/h3-5,9H,6-8H2,1-2H3,(H,16,18)
InChIKeySMSSHQNELZBTQF-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990243) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide is CN(C)C(CNC(=O)COCC(F)(F)F)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SMSSHQNELZBTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-17(2)9(10-4-3-5-20-10)6-16-11(18)7-19-8-12(13,14)15/h3-5,9H,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 310.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).