methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C25H25N3O4S — CID 41018196

IUPACmethyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCNC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCN(C(=O)OC)C2
InChIInChI=1S/C25H25N3O4S/c1-26-23(30)21-19-12-13-28(25(31)32-2)15-20(19)33-24(21)27-22(29)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyPZLJTYHQAZVLIK-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.08
Rot. Bonds5

About methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 41018196) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID41018196
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Namemethyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCNC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCN(C(=O)OC)C2
InChIInChI=1S/C25H25N3O4S/c1-26-23(30)21-19-12-13-28(25(31)32-2)15-20(19)33-24(21)27-22(29)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyPZLJTYHQAZVLIK-UHFFFAOYSA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-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

methyl 2-[(4-cyanobenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588954
methyl 2-[(3,4-dimethylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588962
methyl 2-[(2-ethylsulfanylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018230
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018182
methyl 3-(methylcarbamoyl)-2-[(3-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 16823458
ethyl 2-[(4-benzylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3344400
methyl 2-[[3-(benzenesulfonamido)benzoyl]amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993611
methyl 2-[(2,3-dimethoxybenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018217
ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4674381
3-O-ethyl 6-O-methyl 2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41018046
dimethyl 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 43993421
methyl 3-carbamoyl-2-[(4-ethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588875

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 41018196) is methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CNC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCN(C(=O)OC)C2.
What is the InChIKey of methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is PZLJTYHQAZVLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-26-23(30)21-19-12-13-28(25(31)32-2)15-20(19)33-24(21)27-22(29)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 463.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 41018196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).