N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide

C26H27N3O5S — CID 50824131

IUPACN-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(C)cc3)c(NC(=O)c3cccc(OC)c3)cc21
InChIInChI=1S/C26H27N3O5S/c1-5-28-22-15-21(27-25(30)18-8-7-9-19(14-18)34-4)24(16-23(22)29(6-2)26(28)31)35(32,33)20-12-10-17(3)11-13-20/h7-16H,5-6H2,1-4H3,(H,27,30)
InChIKeyMGKUKCHKGAPFPY-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.24
Rot. Bonds7

About N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide

N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide (PubChem CID 50824131) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
PubChem CID50824131
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(C)cc3)c(NC(=O)c3cccc(OC)c3)cc21
InChIInChI=1S/C26H27N3O5S/c1-5-28-22-15-21(27-25(30)18-8-7-9-19(14-18)34-4)24(16-23(22)29(6-2)26(28)31)35(32,33)20-12-10-17(3)11-13-20/h7-16H,5-6H2,1-4H3,(H,27,30)
InChIKeyMGKUKCHKGAPFPY-UHFFFAOYSA-N
XLogP4.24
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
CID 50820530
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50824297
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-bis[2-(4-methylphenyl)sulfonylhydrazinyl]phosphoryl-3-methoxybenzamide
CID 21238898
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
CID 8960845
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541

Frequently Asked Questions

What is the IUPAC name of N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide (CID 50824131) is N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(C)cc3)c(NC(=O)c3cccc(OC)c3)cc21.
What is the InChIKey of N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide?
The InChIKey is MGKUKCHKGAPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-5-28-22-15-21(27-25(30)18-8-7-9-19(14-18)34-4)24(16-23(22)29(6-2)26(28)31)35(32,33)20-12-10-17(3)11-13-20/h7-16H,5-6H2,1-4H3,(H,27,30).
What are the key properties of N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide?
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide has a molecular weight of 493.59 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 50824131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).