ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium

C14H20F3N4O3S+ — CID 8792629

IUPACethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
SMILESCC[NH+](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)/p+1
InChIKeyVWXWCFBDZYYZIV-UHFFFAOYSA-O
MW381.40 g/mol
LogP-0.34
Rot. Bonds8

About ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium

ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium (PubChem CID 8792629) has the molecular formula C14H20F3N4O3S+ and a molecular weight of 381.40 g/mol. Its IUPAC name is ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
PubChem CID8792629
Molecular FormulaC14H20F3N4O3S+
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Nameethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
SMILESCC[NH+](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)/p+1
InChIKeyVWXWCFBDZYYZIV-UHFFFAOYSA-O
XLogP-0.34
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium (CID 8792629) is ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium is CC[NH+](CC(=O)NCc1cccs1)CC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The InChIKey is VWXWCFBDZYYZIV-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium has a molecular weight of 381.40 g/mol, XLogP of -0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8792629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).