ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium

C18H23FN3O2S+ — CID 8906338

IUPACethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C18H22FN3O2S/c1-3-22(11-17(23)20-10-15-5-4-8-25-15)12-18(24)21-14-7-6-13(2)16(19)9-14/h4-9H,3,10-12H2,1-2H3,(H,20,23)(H,21,24)/p+1
InChIKeySBNMUPZGANTZOA-UHFFFAOYSA-O
MW364.47 g/mol
LogP1.36
Rot. Bonds8

About ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium

ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium (PubChem CID 8906338) has the molecular formula C18H23FN3O2S+ and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
PubChem CID8906338
Molecular FormulaC18H23FN3O2S+
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C18H22FN3O2S/c1-3-22(11-17(23)20-10-15-5-4-8-25-15)12-18(24)21-14-7-6-13(2)16(19)9-14/h4-9H,3,10-12H2,1-2H3,(H,20,23)(H,21,24)/p+1
InChIKeySBNMUPZGANTZOA-UHFFFAOYSA-O
XLogP1.36
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium with MolForge

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Related Compounds

ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 7830915
ethyl-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8592055
ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium
CID 7988270
ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906119
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906350
[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
(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 95867579
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905716
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
[2-(1-adamantylmethylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905656

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium (CID 8906338) is ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium is CC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
The InChIKey is SBNMUPZGANTZOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22FN3O2S/c1-3-22(11-17(23)20-10-15-5-4-8-25-15)12-18(24)21-14-7-6-13(2)16(19)9-14/h4-9H,3,10-12H2,1-2H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium has a molecular weight of 364.47 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium is sourced from PubChem (CID 8906338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).