2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C14H19F3N4O3S — CID 8792630

IUPAC2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H19F3N4O3S/c1-2-21(7-11(22)18-6-10-4-3-5-25-10)8-12(23)20-13(24)19-9-14(15,16)17/h3-5H,2,6-9H2,1H3,(H,18,22)(H2,19,20,23,24)
InChIKeyVWXWCFBDZYYZIV-UHFFFAOYSA-N
MW380.39 g/mol
LogP1.07
Rot. Bonds8

About 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8792630) has the molecular formula C14H19F3N4O3S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8792630
Molecular FormulaC14H19F3N4O3S
Molecular Weight380.39 g/mol
Exact Mass380.11
IUPAC Name2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H19F3N4O3S/c1-2-21(7-11(22)18-6-10-4-3-5-25-10)8-12(23)20-13(24)19-9-14(15,16)17/h3-5H,2,6-9H2,1H3,(H,18,22)(H2,19,20,23,24)
InChIKeyVWXWCFBDZYYZIV-UHFFFAOYSA-N
XLogP1.07
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 8792630) is 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VWXWCFBDZYYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3S/c1-2-21(7-11(22)18-6-10-4-3-5-25-10)8-12(23)20-13(24)19-9-14(15,16)17/h3-5H,2,6-9H2,1H3,(H,18,22)(H2,19,20,23,24).
What are the key properties of 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 380.39 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8792630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).