[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

C20H23N2O2S+ — CID 8677565

IUPAC[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESCCc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-16-7-9-17(10-8-16)21-20(23)15-22(13-18-5-3-11-24-18)14-19-6-4-12-25-19/h3-12H,2,13-15H2,1H3,(H,21,23)/p+1
InChIKeyDWIJIXILLXFGTE-UHFFFAOYSA-O
MW355.48 g/mol
LogP3.13
Rot. Bonds8

About [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (PubChem CID 8677565) has the molecular formula C20H23N2O2S+ and a molecular weight of 355.48 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
PubChem CID8677565
Molecular FormulaC20H23N2O2S+
Molecular Weight355.48 g/mol
Exact Mass355.15
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESCCc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-16-7-9-17(10-8-16)21-20(23)15-22(13-18-5-3-11-24-18)14-19-6-4-12-25-19/h3-12H,2,13-15H2,1H3,(H,21,23)/p+1
InChIKeyDWIJIXILLXFGTE-UHFFFAOYSA-O
XLogP3.13
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678178
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (CID 8677565) is [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is CCc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The InChIKey is DWIJIXILLXFGTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N2O2S/c1-2-16-7-9-17(10-8-16)21-20(23)15-22(13-18-5-3-11-24-18)14-19-6-4-12-25-19/h3-12H,2,13-15H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium has a molecular weight of 355.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8677565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).