methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate

C18H19NO4S — CID 78807455

IUPACmethyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccco2)Cc2cccs2)oc1C
InChIInChI=1S/C18H19NO4S/c1-13-17(18(20)21-2)9-15(23-13)11-19(10-14-5-3-7-22-14)12-16-6-4-8-24-16/h3-9H,10-12H2,1-2H3
InChIKeyUHGXVXBEKYDRAT-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.23
Rot. Bonds7

About methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78807455) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78807455
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namemethyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccco2)Cc2cccs2)oc1C
InChIInChI=1S/C18H19NO4S/c1-13-17(18(20)21-2)9-15(23-13)11-19(10-14-5-3-7-22-14)12-16-6-4-8-24-16/h3-9H,10-12H2,1-2H3
InChIKeyUHGXVXBEKYDRAT-UHFFFAOYSA-N
XLogP4.23
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807159
methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899836
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 63579462
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 5-[[[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 112803347
N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678042
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 78807455) is methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(Cc2ccco2)Cc2cccs2)oc1C.
What is the InChIKey of methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is UHGXVXBEKYDRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-13-17(18(20)21-2)9-15(23-13)11-19(10-14-5-3-7-22-14)12-16-6-4-8-24-16/h3-9H,10-12H2,1-2H3.
What are the key properties of methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78807455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).