N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide

C21H25N3O4S — CID 50824359

IUPACN-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
SMILESCCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C
InChIInChI=1S/C21H25N3O4S/c1-5-6-11-29(27,28)19-13-18-17(23(3)21(26)24(18)4)12-16(19)22-20(25)15-10-8-7-9-14(15)2/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,25)
InChIKeyMZFFRNWBHAYOBI-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.01
Rot. Bonds6

About N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide

N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide (PubChem CID 50824359) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
PubChem CID50824359
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
SMILESCCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C
InChIInChI=1S/C21H25N3O4S/c1-5-6-11-29(27,28)19-13-18-17(23(3)21(26)24(18)4)12-16(19)22-20(25)15-10-8-7-9-14(15)2/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,25)
InChIKeyMZFFRNWBHAYOBI-UHFFFAOYSA-N
XLogP3.01
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide 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

2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
2-butylsulfonylbenzohydrazide
CID 23293458
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
CID 50824372
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
N-ethylsulfonyl-2-methylbenzamide
CID 18331687
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 50824237
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808

Frequently Asked Questions

What is the IUPAC name of N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide (CID 50824359) is N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide is CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C.
What is the InChIKey of N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The InChIKey is MZFFRNWBHAYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-5-6-11-29(27,28)19-13-18-17(23(3)21(26)24(18)4)12-16(19)22-20(25)15-10-8-7-9-14(15)2/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,25).
What are the key properties of N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 50824359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).