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

C10H13F3N2OS — CID 78914853

IUPACN-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccsc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-15(5-8-2-3-17-6-8)9(16)4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyFZYKRSGBBPZOKW-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.86
Rot. Bonds5

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

N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914853) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914853
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccsc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-15(5-8-2-3-17-6-8)9(16)4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyFZYKRSGBBPZOKW-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914853) is N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1ccsc1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is FZYKRSGBBPZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-15(5-8-2-3-17-6-8)9(16)4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 266.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).