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

C15H19NO3S — CID 78807159

IUPACmethyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCCN(Cc1cc(C(=O)OC)c(C)o1)Cc1cccs1
InChIInChI=1S/C15H19NO3S/c1-4-16(10-13-6-5-7-20-13)9-12-8-14(11(2)19-12)15(17)18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyZFCUBIUNENCRPS-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.46
Rot. Bonds6

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

methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78807159) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78807159
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Namemethyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCCN(Cc1cc(C(=O)OC)c(C)o1)Cc1cccs1
InChIInChI=1S/C15H19NO3S/c1-4-16(10-13-6-5-7-20-13)9-12-8-14(11(2)19-12)15(17)18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyZFCUBIUNENCRPS-UHFFFAOYSA-N
XLogP3.46
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807455
methyl 5-[[[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 112803347
methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899836
methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 120912761
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
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
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62036551
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
3-[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918900
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 78807159) is methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate is CCN(Cc1cc(C(=O)OC)c(C)o1)Cc1cccs1.
What is the InChIKey of methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is ZFCUBIUNENCRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-4-16(10-13-6-5-7-20-13)9-12-8-14(11(2)19-12)15(17)18-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78807159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).