N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide

C17H17ClN4OS — CID 20890963

IUPACN-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nc2ccncc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H17ClN4OS/c1-3-15(16(23)20-11-5-4-10(2)12(18)8-11)24-17-21-13-6-7-19-9-14(13)22-17/h4-9,15H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJORJFDRVPJLAAX-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.43
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide

N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide (PubChem CID 20890963) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
PubChem CID20890963
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nc2ccncc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H17ClN4OS/c1-3-15(16(23)20-11-5-4-10(2)12(18)8-11)24-17-21-13-6-7-19-9-14(13)22-17/h4-9,15H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJORJFDRVPJLAAX-UHFFFAOYSA-N
XLogP4.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide 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-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide (CID 20890963) is N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide is CCC(Sc1nc2ccncc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is JORJFDRVPJLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-3-15(16(23)20-11-5-4-10(2)12(18)8-11)24-17-21-13-6-7-19-9-14(13)22-17/h4-9,15H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 360.87 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 20890963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).