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

C25H26N2O3S — CID 4154427

IUPACmethyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCN1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(=O)OC)C1
InChIInChI=1S/C25H26N2O3S/c1-3-27-15-14-19-20(16-27)31-24(22(19)25(29)30-2)26-23(28)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,21H,3,14-16H2,1-2H3,(H,26,28)
InChIKeyWHSOLEDKMTXQML-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.68
Rot. Bonds6

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

methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 4154427) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID4154427
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Namemethyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCN1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(=O)OC)C1
InChIInChI=1S/C25H26N2O3S/c1-3-27-15-14-19-20(16-27)31-24(22(19)25(29)30-2)26-23(28)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,21H,3,14-16H2,1-2H3,(H,26,28)
InChIKeyWHSOLEDKMTXQML-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

3-O-ethyl 6-O-methyl 2-[(2,2-diphenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41018037
methyl 6-ethyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4154998
methyl 6-ethyl-2-[(2-phenoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 24891892
methyl 6-ethyl-2-[(4-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44987429
methyl 6-ethyl-2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3259531
methyl 2-(3,3-diphenylpropanoylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950029
methyl 6-ethyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4660476
methyl 6-ethyl-2-[(4-propan-2-yloxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973502
methyl 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5055195
methyl 2-(1-benzofuran-2-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 8717838
methyl 6-ethyl-2-[(2-oxochromene-3-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5074317
methyl 2-[(2,2-diphenylacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4133244

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 4154427) is methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCN1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(=O)OC)C1.
What is the InChIKey of methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is WHSOLEDKMTXQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-3-27-15-14-19-20(16-27)31-24(22(19)25(29)30-2)26-23(28)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,21H,3,14-16H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 434.56 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 4154427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).