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

C19H21NO4S — CID 78899836

IUPACmethyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccco2)Cc2ccc(C)s2)oc1C
InChIInChI=1S/C19H21NO4S/c1-13-6-7-17(25-13)12-20(10-15-5-4-8-23-15)11-16-9-18(14(2)24-16)19(21)22-3/h4-9H,10-12H2,1-3H3
InChIKeyXCFFKOTUZPQOCL-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.54
Rot. Bonds7

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

methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78899836) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78899836
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Namemethyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccco2)Cc2ccc(C)s2)oc1C
InChIInChI=1S/C19H21NO4S/c1-13-6-7-17(25-13)12-20(10-15-5-4-8-23-15)11-16-9-18(14(2)24-16)19(21)22-3/h4-9H,10-12H2,1-3H3
InChIKeyXCFFKOTUZPQOCL-UHFFFAOYSA-N
XLogP4.54
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807455
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 63579462
methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807159
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
3-[5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 46017800
[(2S)-3-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93163364
methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 120912761
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
CID 103749274
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 78899836) is methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(Cc2ccco2)Cc2ccc(C)s2)oc1C.
What is the InChIKey of methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is XCFFKOTUZPQOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13-6-7-17(25-13)12-20(10-15-5-4-8-23-15)11-16-9-18(14(2)24-16)19(21)22-3/h4-9H,10-12H2,1-3H3.
What are the key properties of methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 4.54, 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-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78899836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).