N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide

C25H25N3O5S — CID 50824237

IUPACN-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H25N3O5S/c1-16-9-11-18(12-10-16)34(31,32)23-14-21-20(27(3)25(30)28(21)4)13-19(23)26-24(29)15-33-22-8-6-5-7-17(22)2/h5-14H,15H2,1-4H3,(H,26,29)
InChIKeyZTGLALLHRDCZAZ-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.34
Rot. Bonds6

About N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide

N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 50824237) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
PubChem CID50824237
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H25N3O5S/c1-16-9-11-18(12-10-16)34(31,32)23-14-21-20(27(3)25(30)28(21)4)13-19(23)26-24(29)15-33-22-8-6-5-7-17(22)2/h5-14H,15H2,1-4H3,(H,26,29)
InChIKeyZTGLALLHRDCZAZ-UHFFFAOYSA-N
XLogP3.34
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 50824264
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9469934
2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
CID 9246472
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
CID 1013137
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 50773372
N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 2712532
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide (CID 50824237) is N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide is Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is ZTGLALLHRDCZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-16-9-11-18(12-10-16)34(31,32)23-14-21-20(27(3)25(30)28(21)4)13-19(23)26-24(29)15-33-22-8-6-5-7-17(22)2/h5-14H,15H2,1-4H3,(H,26,29).
What are the key properties of N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 479.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 50824237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).