ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium

C16H18F3N2OS+ — CID 8718122

IUPACethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1
InChIInChI=1S/C16H17F3N2OS/c1-2-21(10-14-4-3-9-23-14)11-15(22)20-13-7-5-12(6-8-13)16(17,18)19/h3-9H,2,10-11H2,1H3,(H,20,22)/p+1
InChIKeyRLIKITXYWLOGLS-UHFFFAOYSA-O
MW343.39 g/mol
LogP2.81
Rot. Bonds6

About ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium

ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8718122) has the molecular formula C16H18F3N2OS+ and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Nameethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8718122
Molecular FormulaC16H18F3N2OS+
Molecular Weight343.39 g/mol
Exact Mass343.11
IUPAC Nameethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1
InChIInChI=1S/C16H17F3N2OS/c1-2-21(10-14-4-3-9-23-14)11-15(22)20-13-7-5-12(6-8-13)16(17,18)19/h3-9H,2,10-11H2,1H3,(H,20,22)/p+1
InChIKeyRLIKITXYWLOGLS-UHFFFAOYSA-O
XLogP2.81
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
ethyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718494
ethyl-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718491
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
[(2S)-oxolan-2-yl]methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 9054962

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium (CID 8718122) is ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium is CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1.
What is the InChIKey of ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is RLIKITXYWLOGLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17F3N2OS/c1-2-21(10-14-4-3-9-23-14)11-15(22)20-13-7-5-12(6-8-13)16(17,18)19/h3-9H,2,10-11H2,1H3,(H,20,22)/p+1.
What are the key properties of ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 343.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).