2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H14F3N3O2S — CID 26650532

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccsc1
InChIInChI=1S/C11H14F3N3O2S/c1-17(4-8-2-3-20-6-8)5-9(18)16-10(19)15-7-11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H2,15,16,18,19)
InChIKeyHJVVDBDCKHGIJM-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.57
Rot. Bonds5

About 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 26650532) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID26650532
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccsc1
InChIInChI=1S/C11H14F3N3O2S/c1-17(4-8-2-3-20-6-8)5-9(18)16-10(19)15-7-11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H2,15,16,18,19)
InChIKeyHJVVDBDCKHGIJM-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 26650532) is 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is HJVVDBDCKHGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-17(4-8-2-3-20-6-8)5-9(18)16-10(19)15-7-11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H2,15,16,18,19).
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 309.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 26650532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).