N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H11F3N2OS — CID 78924231

IUPACN-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccsc1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-16-5-7/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyDVONDKVUWPLIAA-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.52
Rot. Bonds5

About N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924231) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924231
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccsc1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-16-5-7/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyDVONDKVUWPLIAA-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924231) is N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is DVONDKVUWPLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-16-5-7/h1-2,5,13H,3-4,6H2,(H,14,15).
What are the key properties of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 252.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).