2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H14F3N3O2S — CID 47158927

IUPAC2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)NCCc1cccs1)NCC(F)(F)F
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)7-17-9(18)6-16-10(19)15-4-3-8-2-1-5-20-8/h1-2,5H,3-4,6-7H2,(H,17,18)(H2,15,16,19)
InChIKeyJZZJSZHZJDXHEG-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47158927) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47158927
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)NCCc1cccs1)NCC(F)(F)F
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)7-17-9(18)6-16-10(19)15-4-3-8-2-1-5-20-8/h1-2,5H,3-4,6-7H2,(H,17,18)(H2,15,16,19)
InChIKeyJZZJSZHZJDXHEG-UHFFFAOYSA-N
XLogP1.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 47158927) is 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)NCCc1cccs1)NCC(F)(F)F.
What is the InChIKey of 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JZZJSZHZJDXHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)7-17-9(18)6-16-10(19)15-4-3-8-2-1-5-20-8/h1-2,5H,3-4,6-7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47158927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).