2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

C18H22FN2O2S+ — CID 9166330

IUPAC2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1F
InChIInChI=1S/C18H21FN2O2S/c1-21(11-12-23-16-9-5-3-7-14(16)19)13-18(22)20-15-8-4-6-10-17(15)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1
InChIKeyZNJRMLYFKRUPBZ-UHFFFAOYSA-O
MW349.45 g/mol
LogP2.08
Rot. Bonds8

About 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (PubChem CID 9166330) has the molecular formula C18H22FN2O2S+ and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
PubChem CID9166330
Molecular FormulaC18H22FN2O2S+
Molecular Weight349.45 g/mol
Exact Mass349.14
IUPAC Name2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1F
InChIInChI=1S/C18H21FN2O2S/c1-21(11-12-23-16-9-5-3-7-14(16)19)13-18(22)20-15-8-4-6-10-17(15)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1
InChIKeyZNJRMLYFKRUPBZ-UHFFFAOYSA-O
XLogP2.08
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]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

methyl-[2-(4-methylphenoxy)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104878
2-(4-ethoxyphenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104944
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
CID 9222181
2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729750
2-(2-fluorophenyl)sulfanylethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8558868
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166307
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2699286
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 78768134
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The IUPAC name of 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (CID 9166330) is 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is CSc1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The InChIKey is ZNJRMLYFKRUPBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O2S/c1-21(11-12-23-16-9-5-3-7-14(16)19)13-18(22)20-15-8-4-6-10-17(15)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium has a molecular weight of 349.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9166330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).