ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate

C31H26N2O4S — CID 171980571

IUPACethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C31H26N2O4S/c1-3-36-31(35)29-28(33-26(34)19-37-23-16-14-20(2)15-17-23)27-24(21-10-6-4-7-11-21)18-25(32-30(27)38-29)22-12-8-5-9-13-22/h4-18H,3,19H2,1-2H3,(H,33,34)
InChIKeyMWGLJHNIJDSZDQ-UHFFFAOYSA-N
MW522.63 g/mol
LogP7.13
Rot. Bonds8

About ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 171980571) has the molecular formula C31H26N2O4S and a molecular weight of 522.63 g/mol. Its IUPAC name is ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID171980571
Molecular FormulaC31H26N2O4S
Molecular Weight522.63 g/mol
Exact Mass522.16
IUPAC Nameethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C31H26N2O4S/c1-3-36-31(35)29-28(33-26(34)19-37-23-16-14-20(2)15-17-23)27-24(21-10-6-4-7-11-21)18-25(32-30(27)38-29)22-12-8-5-9-13-22/h4-18H,3,19H2,1-2H3,(H,33,34)
InChIKeyMWGLJHNIJDSZDQ-UHFFFAOYSA-N
XLogP7.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
ethyl 2-[[3-amino-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3165825
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate (CID 171980571) is ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)COc1ccc(C)cc1.
What is the InChIKey of ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is MWGLJHNIJDSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4S/c1-3-36-31(35)29-28(33-26(34)19-37-23-16-14-20(2)15-17-23)27-24(21-10-6-4-7-11-21)18-25(32-30(27)38-29)22-12-8-5-9-13-22/h4-18H,3,19H2,1-2H3,(H,33,34).
What are the key properties of ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 522.63 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 171980571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).