N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide

C22H24N2O3S — CID 118714182

IUPACN-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cnc3scc(NC(=O)C4CCCCC4)c3c2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
InChIKeyHGVYGHNZFIZVJT-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.50
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide

N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 118714182) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
PubChem CID118714182
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cnc3scc(NC(=O)C4CCCCC4)c3c2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
InChIKeyHGVYGHNZFIZVJT-UHFFFAOYSA-N
XLogP5.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
N1-(3,4-dimethoxyphenethyl)-2-phenyl-2-(2-pyridylthio)acetamide
CID 433517
3-amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002400
3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086445
3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1272771
3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 2038264
N-[5-(3,4-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cycloheptanecarboxamide
CID 118714165
N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide
CID 118714183
N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide
CID 122205415
3-Amino-6-(4-pyridyl)thiopheno[2,3-b]pyridin-2-yl 3,4-dimethoxyphenyl ketone
CID 42648191
3-amino-6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2011209
3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003945

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide (CID 118714182) is N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide is COc1ccc(-c2cnc3scc(NC(=O)C4CCCCC4)c3c2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is HGVYGHNZFIZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 396.51 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 118714182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).