2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide

C24H24N4O5S — CID 86620339

IUPAC2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CC(=O)N(C)OC)cc1
InChIInChI=1S/C24H24N4O5S/c1-4-34(30,31)18-10-8-17(9-11-18)33-22-15-21-20(13-16(22)14-23(29)28(2)32-3)26-24(27-21)19-7-5-6-12-25-19/h5-13,15H,4,14H2,1-3H3,(H,26,27)
InChIKeyOQEOCVWMAXBRMQ-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.77
Rot. Bonds8

About 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide

2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide (PubChem CID 86620339) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide
PubChem CID86620339
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CC(=O)N(C)OC)cc1
InChIInChI=1S/C24H24N4O5S/c1-4-34(30,31)18-10-8-17(9-11-18)33-22-15-21-20(13-16(22)14-23(29)28(2)32-3)26-24(27-21)19-7-5-6-12-25-19/h5-13,15H,4,14H2,1-3H3,(H,26,27)
InChIKeyOQEOCVWMAXBRMQ-UHFFFAOYSA-N
XLogP3.77
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide 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

5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
CID 57433583
1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 11562233
4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one
CID 46226734
5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145540
1-[[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-5-sulfanylpyrrolidin-2-one
CID 141254244
2-[[6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]-3-fluorobenzamide
CID 11785921
1-[(2R,4R)-4-hydroxy-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482427
1-[(2S,4S)-4-fluoro-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482526
6-[2-(1-fluoroethyl)pyrrolidin-1-yl]-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145205
1-[2-[6-(3-fluoro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145182
N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide
CID 46180879
1-[[6-(3-chloro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]pyrrolidin-2-one
CID 59729152

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide (CID 86620339) is 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CC(=O)N(C)OC)cc1.
What is the InChIKey of 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide?
The InChIKey is OQEOCVWMAXBRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-4-34(30,31)18-10-8-17(9-11-18)33-22-15-21-20(13-16(22)14-23(29)28(2)32-3)26-24(27-21)19-7-5-6-12-25-19/h5-13,15H,4,14H2,1-3H3,(H,26,27).
What are the key properties of 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide?
2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide has a molecular weight of 480.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 86620339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).