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

C14H14F3N2O2S+ — CID 7450766

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1cccs1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)21-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-22-12/h1-7,18H,8-9H2,(H,19,20)/p+1
InChIKeyRUMJUAIXUDFUGV-UHFFFAOYSA-O
MW331.34 g/mol
LogP2.35
Rot. Bonds6

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

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 7450766) has the molecular formula C14H14F3N2O2S+ and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID7450766
Molecular FormulaC14H14F3N2O2S+
Molecular Weight331.34 g/mol
Exact Mass331.07
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1cccs1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)21-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-22-12/h1-7,18H,8-9H2,(H,19,20)/p+1
InChIKeyRUMJUAIXUDFUGV-UHFFFAOYSA-O
XLogP2.35
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium with MolForge

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

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 7450764
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-propan-2-ylazanium
CID 2098849
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7406588
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5130921
4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 46246301

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium (CID 7450766) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium is O=C(C[NH2+]Cc1cccs1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is RUMJUAIXUDFUGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)21-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-22-12/h1-7,18H,8-9H2,(H,19,20)/p+1.
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 331.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7450766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).