N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2O2S — CID 78958006

IUPACN-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCN(C(=O)CNCC(F)(F)F)C1CCSC1
InChIInChI=1S/C11H19F3N2O2S/c1-18-4-3-16(9-2-5-19-7-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyMQVNGJOAMJNGRS-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.12
Rot. Bonds7

About N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958006) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958006
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCN(C(=O)CNCC(F)(F)F)C1CCSC1
InChIInChI=1S/C11H19F3N2O2S/c1-18-4-3-16(9-2-5-19-7-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyMQVNGJOAMJNGRS-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)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 N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958006) is N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is COCCN(C(=O)CNCC(F)(F)F)C1CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MQVNGJOAMJNGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c1-18-4-3-16(9-2-5-19-7-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 300.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).