furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C22H21N2O2S+ — CID 8677699

IUPACfuran-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESO=C(C[NH+](Cc1ccco1)Cc1cccs1)Nc1cccc2ccccc12
InChIInChI=1S/C22H20N2O2S/c25-22(23-21-11-3-7-17-6-1-2-10-20(17)21)16-24(14-18-8-4-12-26-18)15-19-9-5-13-27-19/h1-13H,14-16H2,(H,23,25)/p+1
InChIKeyJIIFMOJJQKKARO-UHFFFAOYSA-O
MW377.49 g/mol
LogP3.72
Rot. Bonds7

About furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8677699) has the molecular formula C22H21N2O2S+ and a molecular weight of 377.49 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8677699
Molecular FormulaC22H21N2O2S+
Molecular Weight377.49 g/mol
Exact Mass377.13
IUPAC Namefuran-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESO=C(C[NH+](Cc1ccco1)Cc1cccs1)Nc1cccc2ccccc12
InChIInChI=1S/C22H20N2O2S/c25-22(23-21-11-3-7-17-6-1-2-10-20(17)21)16-24(14-18-8-4-12-26-18)15-19-9-5-13-27-19/h1-13H,14-16H2,(H,23,25)/p+1
InChIKeyJIIFMOJJQKKARO-UHFFFAOYSA-O
XLogP3.72
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(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-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800916
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678178
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841120
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841313
N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 8677699) is furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is O=C(C[NH+](Cc1ccco1)Cc1cccs1)Nc1cccc2ccccc12.
What is the InChIKey of furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is JIIFMOJJQKKARO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20N2O2S/c25-22(23-21-11-3-7-17-6-1-2-10-20(17)21)16-24(14-18-8-4-12-26-18)15-19-9-5-13-27-19/h1-13H,14-16H2,(H,23,25)/p+1.
What are the key properties of furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 377.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8677699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).