[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C17H21N2O6S+ — CID 9334318

IUPAC[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCOC(=O)c1sc(NC(=O)C[NH+](C)Cc2ccco2)c(C(=O)OC)c1C
InChIInChI=1S/C17H20N2O6S/c1-10-13(16(21)23-3)15(26-14(10)17(22)24-4)18-12(20)9-19(2)8-11-6-5-7-25-11/h5-7H,8-9H2,1-4H3,(H,18,20)/p+1
InChIKeyHDEXFZDXWMUAEE-UHFFFAOYSA-O
MW381.43 g/mol
LogP0.88
Rot. Bonds7

About [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 9334318) has the molecular formula C17H21N2O6S+ and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID9334318
Molecular FormulaC17H21N2O6S+
Molecular Weight381.43 g/mol
Exact Mass381.11
IUPAC Name[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCOC(=O)c1sc(NC(=O)C[NH+](C)Cc2ccco2)c(C(=O)OC)c1C
InChIInChI=1S/C17H20N2O6S/c1-10-13(16(21)23-3)15(26-14(10)17(22)24-4)18-12(20)9-19(2)8-11-6-5-7-25-11/h5-7H,8-9H2,1-4H3,(H,18,20)/p+1
InChIKeyHDEXFZDXWMUAEE-UHFFFAOYSA-O
XLogP0.88
TPSA99.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium with MolForge

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Related Compounds

dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9333240
dimethyl 5-[(2-benzamidoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 28694131
dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 9080610
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
dimethyl 5-[[2-(2-formylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7762726
[2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(4-bromophenyl)methyl]-methylazanium
CID 2698685
[2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054716
dimethyl 5-[[2-(2,4-dimethylphenyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 44918850
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
dimethyl 3-methyl-5-[[2-(2-methylsulfanylanilino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 24562360
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051

Frequently Asked Questions

What is the IUPAC name of [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 9334318) is [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is COC(=O)c1sc(NC(=O)C[NH+](C)Cc2ccco2)c(C(=O)OC)c1C.
What is the InChIKey of [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is HDEXFZDXWMUAEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O6S/c1-10-13(16(21)23-3)15(26-14(10)17(22)24-4)18-12(20)9-19(2)8-11-6-5-7-25-11/h5-7H,8-9H2,1-4H3,(H,18,20)/p+1.
What are the key properties of [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 381.43 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 9334318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).