N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide

C26H28N4O3S — CID 50825657

IUPACN-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2C)cc1
InChIInChI=1S/C26H28N4O3S/c1-6-27-26(31)20-9-7-19(8-10-20)25-28-22-15-21(11-12-23(22)30(25)5)29-34(32,33)24-17(3)13-16(2)14-18(24)4/h7-15,29H,6H2,1-5H3,(H,27,31)
InChIKeyCOBLQIIILPLCHK-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.72
Rot. Bonds6

About N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide

N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide (PubChem CID 50825657) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
PubChem CID50825657
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2C)cc1
InChIInChI=1S/C26H28N4O3S/c1-6-27-26(31)20-9-7-19(8-10-20)25-28-22-15-21(11-12-23(22)30(25)5)29-34(32,33)24-17(3)13-16(2)14-18(24)4/h7-15,29H,6H2,1-5H3,(H,27,31)
InChIKeyCOBLQIIILPLCHK-UHFFFAOYSA-N
XLogP4.72
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825231
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 43069543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide?
The IUPAC name of N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide (CID 50825657) is N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide is CCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2C)cc1.
What is the InChIKey of N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide?
The InChIKey is COBLQIIILPLCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-6-27-26(31)20-9-7-19(8-10-20)25-28-22-15-21(11-12-23(22)30(25)5)29-34(32,33)24-17(3)13-16(2)14-18(24)4/h7-15,29H,6H2,1-5H3,(H,27,31).
What are the key properties of N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide?
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide has a molecular weight of 476.60 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 50825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).