ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

C25H25N3O6S — CID 42068418

IUPACethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)sc(C(=O)NC)c1C
InChIInChI=1S/C25H25N3O6S/c1-5-33-25(31)21-13(2)22(23(30)26-3)35-24(21)28-20(29)12-27-16-11-18-15(10-19(16)32-4)14-8-6-7-9-17(14)34-18/h6-11,27H,5,12H2,1-4H3,(H,26,30)(H,28,29)
InChIKeyPYGPHJRRUCTRON-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.55
Rot. Bonds8

About ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate (PubChem CID 42068418) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
PubChem CID42068418
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Nameethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)sc(C(=O)NC)c1C
InChIInChI=1S/C25H25N3O6S/c1-5-33-25(31)21-13(2)22(23(30)26-3)35-24(21)28-20(29)12-27-16-11-18-15(10-19(16)32-4)14-8-6-7-9-17(14)34-18/h6-11,27H,5,12H2,1-4H3,(H,26,30)(H,28,29)
InChIKeyPYGPHJRRUCTRON-UHFFFAOYSA-N
XLogP4.55
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-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

ethyl 2-[[2-(2-benzylanilino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 42070530
ethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 17469407
ethyl 2-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 31763392
ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 7818194
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylate
CID 26506129
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2684463
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 9080610
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 27133209
ethyl 2-[[2-(4-chloro-3-fluoroanilino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 55896865
ethyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 17321915
ethyl 2-[[2-(4,5-dimethoxy-2-methylanilino)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 9105428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate (CID 42068418) is ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)sc(C(=O)NC)c1C.
What is the InChIKey of ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is PYGPHJRRUCTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-5-33-25(31)21-13(2)22(23(30)26-3)35-24(21)28-20(29)12-27-16-11-18-15(10-19(16)32-4)14-8-6-7-9-17(14)34-18/h6-11,27H,5,12H2,1-4H3,(H,26,30)(H,28,29).
What are the key properties of ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?
ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 495.56 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 42068418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).