N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide

C16H16N4OS — CID 20890477

IUPACN-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C16H16N4OS/c1-2-11-3-5-12(6-4-11)18-15(21)10-22-16-19-13-7-8-17-9-14(13)20-16/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyXOWPDMMFPWVIPY-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.25
Rot. Bonds5

About N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide

N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide (PubChem CID 20890477) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
PubChem CID20890477
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C16H16N4OS/c1-2-11-3-5-12(6-4-11)18-15(21)10-22-16-19-13-7-8-17-9-14(13)20-16/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyXOWPDMMFPWVIPY-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide 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-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 20890482
N-(4-ethylphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 19644003
N-(4-ethylphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713659
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890954
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide (CID 20890477) is N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide is CCc1ccc(NC(=O)CSc2nc3ccncc3[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is XOWPDMMFPWVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-11-3-5-12(6-4-11)18-15(21)10-22-16-19-13-7-8-17-9-14(13)20-16/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 20890477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).