[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C19H18N2O4S — CID 17436057

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C19H18N2O4S/c1-10-8-11(2)21-18-15(10)16(20)17(26-18)19(23)25-9-14(22)12-4-6-13(24-3)7-5-12/h4-8H,9,20H2,1-3H3
InChIKeyCUUAGCGSANRSAS-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.54
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 17436057) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID17436057
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C19H18N2O4S/c1-10-8-11(2)21-18-15(10)16(20)17(26-18)19(23)25-9-14(22)12-4-6-13(24-3)7-5-12/h4-8H,9,20H2,1-3H3
InChIKeyCUUAGCGSANRSAS-UHFFFAOYSA-N
XLogP3.54
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 43019097
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057251
(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 55640832
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
(3-methylphenyl) 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 2028035
phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057256
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
CID 169006544
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 17436057) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is COc1ccc(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is CUUAGCGSANRSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-10-8-11(2)21-18-15(10)16(20)17(26-18)19(23)25-9-14(22)12-4-6-13(24-3)7-5-12/h4-8H,9,20H2,1-3H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 17436057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).