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

C26H27N3O5S — CID 50820530

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

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

N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide (PubChem CID 50820530) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
PubChem CID50820530
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(OC)cc3)c(NC(=O)c3cccc(C)c3)cc21
InChIInChI=1S/C26H27N3O5S/c1-5-28-22-15-21(27-25(30)18-9-7-8-17(3)14-18)24(16-23(22)29(6-2)26(28)31)35(32,33)20-12-10-19(34-4)11-13-20/h7-16H,5-6H2,1-4H3,(H,27,30)
InChIKeyFQYRWVOZJIYTAV-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-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
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
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzamide
CID 27537420
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzamide
CID 16930540

Frequently Asked Questions

What is the IUPAC name of N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide (CID 50820530) is N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(OC)cc3)c(NC(=O)c3cccc(C)c3)cc21.
What is the InChIKey of N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide?
The InChIKey is FQYRWVOZJIYTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-5-28-22-15-21(27-25(30)18-9-7-8-17(3)14-18)24(16-23(22)29(6-2)26(28)31)35(32,33)20-12-10-19(34-4)11-13-20/h7-16H,5-6H2,1-4H3,(H,27,30).
What are the key properties of N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide?
N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide 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-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 50820530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).