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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).