ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate

C16H25N3O4S — CID 658837

IUPACethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)c(C(=O)NCCCN2CCOCC2)c1N
InChIInChI=1S/C16H25N3O4S/c1-3-23-16(21)14-13(17)12(11(2)24-14)15(20)18-5-4-6-19-7-9-22-10-8-19/h3-10,17H2,1-2H3,(H,18,20)
InChIKeyVVWCHPIDNVOLMO-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.27
Rot. Bonds7

About ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate

ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate (PubChem CID 658837) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate
PubChem CID658837
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nameethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)c(C(=O)NCCCN2CCOCC2)c1N
InChIInChI=1S/C16H25N3O4S/c1-3-23-16(21)14-13(17)12(11(2)24-14)15(20)18-5-4-6-19-7-9-22-10-8-19/h3-10,17H2,1-2H3,(H,18,20)
InChIKeyVVWCHPIDNVOLMO-UHFFFAOYSA-N
XLogP1.27
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-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 ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate (CID 658837) is ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate is CCOC(=O)c1sc(C)c(C(=O)NCCCN2CCOCC2)c1N.
What is the InChIKey of ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is VVWCHPIDNVOLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-23-16(21)14-13(17)12(11(2)24-14)15(20)18-5-4-6-19-7-9-22-10-8-19/h3-10,17H2,1-2H3,(H,18,20).
What are the key properties of ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate?
ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 658837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).