N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide

C21H13Cl3N2O2S — CID 3751364

IUPACN-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2S/c22-13-3-1-4-14(10-13)26-20(27)19-18(15-5-2-8-25-21(15)29-19)28-11-12-6-7-16(23)17(24)9-12/h1-10H,11H2,(H,26,27)
InChIKeyHKDURFLHINAGLQ-UHFFFAOYSA-N
MW463.77 g/mol
LogP7.09
Rot. Bonds5

About N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide

N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3751364) has the molecular formula C21H13Cl3N2O2S and a molecular weight of 463.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3751364
Molecular FormulaC21H13Cl3N2O2S
Molecular Weight463.77 g/mol
Exact Mass461.98
IUPAC NameN-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2S/c22-13-3-1-4-14(10-13)26-20(27)19-18(15-5-2-8-25-21(15)29-19)28-11-12-6-7-16(23)17(24)9-12/h1-10H,11H2,(H,26,27)
InChIKeyHKDURFLHINAGLQ-UHFFFAOYSA-N
XLogP7.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.77
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]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

Related Compounds

2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone
CID 159737489
3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 16762341
3-amino-N-(3-chlorophenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289102
N-(3-chloro-4-fluorophenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838618
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
CID 45493609
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
N-[(3-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353248
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide (CID 3751364) is N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HKDURFLHINAGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O2S/c22-13-3-1-4-14(10-13)26-20(27)19-18(15-5-2-8-25-21(15)29-19)28-11-12-6-7-16(23)17(24)9-12/h1-10H,11H2,(H,26,27).
What are the key properties of N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide?
N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.77 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3751364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).