methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate

C19H26N2O4S — CID 46014958

IUPACmethyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(CCN2CCOCC2)Cc2ccc(C)s2)o1
InChIInChI=1S/C19H26N2O4S/c1-15-3-5-17(26-15)14-21(8-7-20-9-11-24-12-10-20)13-16-4-6-18(25-16)19(22)23-2/h3-6H,7-14H2,1-2H3
InChIKeyLXBFHIKFSKUSMZ-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.77
Rot. Bonds8

About methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate (PubChem CID 46014958) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate
PubChem CID46014958
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Namemethyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(CCN2CCOCC2)Cc2ccc(C)s2)o1
InChIInChI=1S/C19H26N2O4S/c1-15-3-5-17(26-15)14-21(8-7-20-9-11-24-12-10-20)13-16-4-6-18(25-16)19(22)23-2/h3-6H,7-14H2,1-2H3
InChIKeyLXBFHIKFSKUSMZ-UHFFFAOYSA-N
XLogP2.77
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42851033
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93163251
[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 42851016
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
ethyl 1-[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 46043649
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 3442164
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 42839315
N-benzyl-2-[cyclohexylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 46124195

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate (CID 46014958) is methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(CCN2CCOCC2)Cc2ccc(C)s2)o1.
What is the InChIKey of methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is LXBFHIKFSKUSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15-3-5-17(26-15)14-21(8-7-20-9-11-24-12-10-20)13-16-4-6-18(25-16)19(22)23-2/h3-6H,7-14H2,1-2H3.
What are the key properties of methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 46014958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).