N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C18H22N2O2S — CID 53165463

IUPACN-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc3c(s2)N(C)CCC3)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-22-15-8-6-13(7-9-15)12-19-17(21)16-11-14-5-4-10-20(2)18(14)23-16/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,21)
InChIKeyWTHDSDQNCVLMPX-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.46
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53165463) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53165463
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc3c(s2)N(C)CCC3)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-22-15-8-6-13(7-9-15)12-19-17(21)16-11-14-5-4-10-20(2)18(14)23-16/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,21)
InChIKeyWTHDSDQNCVLMPX-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53165463) is N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CCOc1ccc(CNC(=O)c2cc3c(s2)N(C)CCC3)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WTHDSDQNCVLMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-22-15-8-6-13(7-9-15)12-19-17(21)16-11-14-5-4-10-20(2)18(14)23-16/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53165463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).