diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate

C18H26N2O6S — CID 1182906

IUPACdiethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCN2CCOCC2)c(C(=O)OCC)c1C
InChIInChI=1S/C18H26N2O6S/c1-4-25-17(22)14-12(3)15(18(23)26-5-2)27-16(14)19-13(21)6-7-20-8-10-24-11-9-20/h4-11H2,1-3H3,(H,19,21)
InChIKeyJBRXHPFGOBXNQI-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.07
Rot. Bonds8

About diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate

diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate (PubChem CID 1182906) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
PubChem CID1182906
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Namediethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCN2CCOCC2)c(C(=O)OCC)c1C
InChIInChI=1S/C18H26N2O6S/c1-4-25-17(22)14-12(3)15(18(23)26-5-2)27-16(14)19-13(21)6-7-20-8-10-24-11-9-20/h4-11H2,1-3H3,(H,19,21)
InChIKeyJBRXHPFGOBXNQI-UHFFFAOYSA-N
XLogP2.07
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate 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

diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 4074758
ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate
CID 171980451
ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate
CID 2384875
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate
CID 143045830
diethyl 5-(dodecanoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 3349042
diethyl 5-(decanoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 3123953
ethyl 5-acetyl-2-[[4-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoyl]amino]-4-methylthiophene-3-carboxylate
CID 3496164
diethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19559878
1-[3-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470567
4-O-ethyl 2-O-prop-2-enyl 3-methyl-5-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-2,4-dicarboxylate
CID 30034814
ethyl 2-(butanoylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17062357
diethyl 3-methyl-5-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate
CID 19653825

Frequently Asked Questions

What is the IUPAC name of diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate (CID 1182906) is diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)CCN2CCOCC2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
The InChIKey is JBRXHPFGOBXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-4-25-17(22)14-12(3)15(18(23)26-5-2)27-16(14)19-13(21)6-7-20-8-10-24-11-9-20/h4-11H2,1-3H3,(H,19,21).
What are the key properties of diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate has a molecular weight of 398.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 1182906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).