ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate

C23H18N2O4S — CID 15352375

IUPACethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1C(=O)N=c2sc(C(=O)c3ccccc3)c(N)c2=C1c1ccccc1
InChIInChI=1S/C23H18N2O4S/c1-2-29-23(28)17-15(13-9-5-3-6-10-13)16-18(24)20(30-22(16)25-21(17)27)19(26)14-11-7-4-8-12-14/h3-12,17H,2,24H2,1H3
InChIKeyUADUFAFUXZWRLX-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.10
Rot. Bonds5

About ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate

ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate (PubChem CID 15352375) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate
PubChem CID15352375
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Nameethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1C(=O)N=c2sc(C(=O)c3ccccc3)c(N)c2=C1c1ccccc1
InChIInChI=1S/C23H18N2O4S/c1-2-29-23(28)17-15(13-9-5-3-6-10-13)16-18(24)20(30-22(16)25-21(17)27)19(26)14-11-7-4-8-12-14/h3-12,17H,2,24H2,1H3
InChIKeyUADUFAFUXZWRLX-UHFFFAOYSA-N
XLogP2.10
TPSA98.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-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

diethyl 3-amino-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-2,5-dicarboxylate
CID 15352379
ethyl 4-oxo-2-phenyl-1,3-thiazole-5-carboxylate
CID 71610298
sodium 4-amino-5-benzoyl-3-ethoxycarbonylthiophene-2-thiolate
CID 42624946
ethyl 4-oxo-2,6-diphenyl-3H-pyridine-3-carboxylate
CID 70373641
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 1480855
ethyl 2-amino-5-benzoyl-4-methylthiophene-3-carboxylate
CID 53364230
ethyl 3-amino-5-benzoyl-4-cyanothiophene-2-carboxylate
CID 110194656
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
ethyl 2-anilino-4-methyl-5-(4-phenylbenzoyl)thiophene-3-carboxylate
CID 2324637
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate (CID 15352375) is ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)C1C(=O)N=c2sc(C(=O)c3ccccc3)c(N)c2=C1c1ccccc1.
What is the InChIKey of ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is UADUFAFUXZWRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-2-29-23(28)17-15(13-9-5-3-6-10-13)16-18(24)20(30-22(16)25-21(17)27)19(26)14-11-7-4-8-12-14/h3-12,17H,2,24H2,1H3.
What are the key properties of ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate?
ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 418.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-benzoyl-6-oxo-4-phenyl-5H-thieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 15352375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).