ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate

C17H14N2O4S — CID 10154441

IUPACethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C17H14N2O4S/c1-2-22-17(21)10-3-5-11(6-4-10)23-13-8-19-9-15-12(13)7-14(24-15)16(18)20/h3-9H,2H2,1H3,(H2,18,20)
InChIKeyPLJNYURYMQTAIF-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.36
Rot. Bonds5

About ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate

ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate (PubChem CID 10154441) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate
PubChem CID10154441
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Nameethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C17H14N2O4S/c1-2-22-17(21)10-3-5-11(6-4-10)23-13-8-19-9-15-12(13)7-14(24-15)16(18)20/h3-9H,2H2,1H3,(H2,18,20)
InChIKeyPLJNYURYMQTAIF-UHFFFAOYSA-N
XLogP3.36
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
4-pyridin-3-yloxythieno[2,3-c]pyridine-2-carboxamide
CID 18516131
4-(4-chloro-2-methylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
CID 10267925
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 18516240
methyl 4-[4-(oxoboranylmethylamino)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 20594279
4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 20594234
4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 10155661
4-phenylthieno[2,3-c]pyridine-2-carboxamide;propane
CID 91467405
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 20594232

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate?
The IUPAC name of ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate (CID 10154441) is ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate?
The canonical SMILES for ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate is CCOC(=O)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1.
What is the InChIKey of ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate?
The InChIKey is PLJNYURYMQTAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-2-22-17(21)10-3-5-11(6-4-10)23-13-8-19-9-15-12(13)7-14(24-15)16(18)20/h3-9H,2H2,1H3,(H2,18,20).
What are the key properties of ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate?
ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate has a molecular weight of 342.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate is sourced from PubChem (CID 10154441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).