N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

C23H22N4OS — CID 66546774

IUPACN-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3)nc3cccnc32)c(C)c1
InChIInChI=1S/C23H22N4OS/c1-15-12-16(2)21(17(3)13-15)27-22-19(10-7-11-24-22)26-23(27)29-14-20(28)25-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyQJBOYARENZINGD-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.08
Rot. Bonds5

About N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 66546774) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID66546774
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3)nc3cccnc32)c(C)c1
InChIInChI=1S/C23H22N4OS/c1-15-12-16(2)21(17(3)13-15)27-22-19(10-7-11-24-22)26-23(27)29-14-20(28)25-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyQJBOYARENZINGD-UHFFFAOYSA-N
XLogP5.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide 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

N-(2-nitrophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 66546952
methyl 3-bromo-2-[[2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetyl]amino]benzoate
CID 71596736
N-(2-chloro-3-pyridinyl)-2-[1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetamide
CID 66547635
N-(4-acetylphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214197
N-(2-chloro-3-pyridinyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4827405
3-[[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 21157003
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-(4-fluorophenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55321725
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 16531980
N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11553194
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 4006533
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 66546774) is N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3)nc3cccnc32)c(C)c1.
What is the InChIKey of N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is QJBOYARENZINGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-15-12-16(2)21(17(3)13-15)27-22-19(10-7-11-24-22)26-23(27)29-14-20(28)25-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 402.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 66546774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).