ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C17H18N2O3S — CID 6452730

IUPACethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2)C1
InChIInChI=1S/C17H18N2O3S/c1-2-22-17(21)19-9-8-12-13(10-19)23-16(18)14(12)15(20)11-6-4-3-5-7-11/h3-7H,2,8-10,18H2,1H3
InChIKeyPKXOLWAWDKBNCF-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.08
Rot. Bonds3

About ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 6452730) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID6452730
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Nameethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2)C1
InChIInChI=1S/C17H18N2O3S/c1-2-22-17(21)19-9-8-12-13(10-19)23-16(18)14(12)15(20)11-6-4-3-5-7-11/h3-7H,2,8-10,18H2,1H3
InChIKeyPKXOLWAWDKBNCF-UHFFFAOYSA-N
XLogP3.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
4-Methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-amine
CID 2090156
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324
6-Acetyl-2-(2-phenylacetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 4105344
6-ethanoyl-2-[2-(4-fluorophenyl)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7597274
6-Isopropyl-2-(3-phenylpropanamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16195034
2-(4-Benzoylbenzamido)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16798257
2-(4-Benzoylbenzamido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16798258
2-(4-Benzoylbenzamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16806285
6-Ethyl-2-(2-phenylacetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16806338
6-Methyl-2-(2-phenylacetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16806339
2-Amino-3-benzoyl-6-benzyloxycarbonyl4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 9821884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 6452730) is ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2)C1.
What is the InChIKey of ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is PKXOLWAWDKBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-22-17(21)19-9-8-12-13(10-19)23-16(18)14(12)15(20)11-6-4-3-5-7-11/h3-7H,2,8-10,18H2,1H3.
What are the key properties of ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 6452730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).