3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide

C18H21N3O3S — CID 110396338

IUPAC3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(=O)n(C)c3ccccc32)cc1C
InChIInChI=1S/C18H21N3O3S/c1-13-8-9-15(12-14(13)2)25(23,24)19-10-11-21-17-7-5-4-6-16(17)20(3)18(21)22/h4-9,12,19H,10-11H2,1-3H3
InChIKeyJZXVMWOCKZMBCZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.94
Rot. Bonds5

About 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide

3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 110396338) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID110396338
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(=O)n(C)c3ccccc32)cc1C
InChIInChI=1S/C18H21N3O3S/c1-13-8-9-15(12-14(13)2)25(23,24)19-10-11-21-17-7-5-4-6-16(17)20(3)18(21)22/h4-9,12,19H,10-11H2,1-3H3
InChIKeyJZXVMWOCKZMBCZ-UHFFFAOYSA-N
XLogP1.94
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide 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

N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
CID 110396364
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113092280
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
3,4-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516288
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
CID 115591774
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide (CID 110396338) is 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2c(=O)n(C)c3ccccc32)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is JZXVMWOCKZMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-8-9-15(12-14(13)2)25(23,24)19-10-11-21-17-7-5-4-6-16(17)20(3)18(21)22/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110396338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).