ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate

C24H23N3O3S2 — CID 23774774

IUPACethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N
InChIInChI=1S/C24H23N3O3S2/c1-5-30-24(29)18-16(15-9-7-6-8-10-15)11-31-22(18)27-21(28)20-19(25)17-13(3)12(2)14(4)26-23(17)32-20/h6-11H,5,25H2,1-4H3,(H,27,28)
InChIKeyPQNXOZPLJNMUIS-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.96
Rot. Bonds5

About ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate

ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate (PubChem CID 23774774) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
PubChem CID23774774
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC Nameethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N
InChIInChI=1S/C24H23N3O3S2/c1-5-30-24(29)18-16(15-9-7-6-8-10-15)11-31-22(18)27-21(28)20-19(25)17-13(3)12(2)14(4)26-23(17)32-20/h6-11H,5,25H2,1-4H3,(H,27,28)
InChIKeyPQNXOZPLJNMUIS-UHFFFAOYSA-N
XLogP5.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[3-amino-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3165825
ethyl 4-phenyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 84560238
methyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 23745635
ethyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 23745636
ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
CID 19850799
ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23970096
ethyl 4-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1354018
4-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 804923
ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-3-carboxylate
CID 18863094
propan-2-yl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23803913
ethyl 2-benzamido-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 2218990
methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 23888939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate (CID 23774774) is ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N.
What is the InChIKey of ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
The InChIKey is PQNXOZPLJNMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-5-30-24(29)18-16(15-9-7-6-8-10-15)11-31-22(18)27-21(28)20-19(25)17-13(3)12(2)14(4)26-23(17)32-20/h6-11H,5,25H2,1-4H3,(H,27,28).
What are the key properties of ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate?
ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate has a molecular weight of 465.60 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate is sourced from PubChem (CID 23774774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).