[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

C19H18N2O4S — CID 19057251

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)cc1
InChIInChI=1S/C19H18N2O4S/c1-3-24-13-7-5-12(6-8-13)15(22)10-25-19(23)17-16(20)14-9-4-11(2)21-18(14)26-17/h4-9H,3,10,20H2,1-2H3
InChIKeyCDKNXAGSBFATBX-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.63
Rot. Bonds6

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

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 19057251) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID19057251
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)cc1
InChIInChI=1S/C19H18N2O4S/c1-3-24-13-7-5-12(6-8-13)15(22)10-25-19(23)17-16(20)14-9-4-11(2)21-18(14)26-17/h4-9H,3,10,20H2,1-2H3
InChIKeyCDKNXAGSBFATBX-UHFFFAOYSA-N
XLogP3.63
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057256
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23830119
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116359
ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 2747019
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[[3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-methoxybenzoate
CID 87047649
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744221
3-amino-N-(4-ethoxyphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745634
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 19057251) is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate is CCOc1ccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is CDKNXAGSBFATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-24-13-7-5-12(6-8-13)15(22)10-25-19(23)17-16(20)14-9-4-11(2)21-18(14)26-17/h4-9H,3,10,20H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 19057251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).