[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

C20H23N2O4S+ — CID 8677873

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1OC
InChIInChI=1S/C20H22N2O4S/c1-24-18-8-7-15(11-19(18)25-2)21-20(23)14-22(12-16-5-3-9-26-16)13-17-6-4-10-27-17/h3-11H,12-14H2,1-2H3,(H,21,23)/p+1
InChIKeyNEWFOJNONGQCMY-UHFFFAOYSA-O
MW387.48 g/mol
LogP2.58
Rot. Bonds9

About [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (PubChem CID 8677873) has the molecular formula C20H23N2O4S+ and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
PubChem CID8677873
Molecular FormulaC20H23N2O4S+
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1OC
InChIInChI=1S/C20H22N2O4S/c1-24-18-8-7-15(11-19(18)25-2)21-20(23)14-22(12-16-5-3-9-26-16)13-17-6-4-10-27-17/h3-11H,12-14H2,1-2H3,(H,21,23)/p+1
InChIKeyNEWFOJNONGQCMY-UHFFFAOYSA-O
XLogP2.58
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

[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-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800903
N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678042
furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 9327834
furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678178

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (CID 8677873) is [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is COc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The InChIKey is NEWFOJNONGQCMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N2O4S/c1-24-18-8-7-15(11-19(18)25-2)21-20(23)14-22(12-16-5-3-9-26-16)13-17-6-4-10-27-17/h3-11H,12-14H2,1-2H3,(H,21,23)/p+1.
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium has a molecular weight of 387.48 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8677873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).