4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide

C25H23N5O3S — CID 50825278

IUPAC4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(C#N)cc4)ccc3n2C)cc1
InChIInChI=1S/C25H23N5O3S/c1-16(2)27-25(31)19-8-6-18(7-9-19)24-28-22-14-20(10-13-23(22)30(24)3)29-34(32,33)21-11-4-17(15-26)5-12-21/h4-14,16,29H,1-3H3,(H,27,31)
InChIKeyRITGOSCSUDBNIS-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.05
Rot. Bonds6

About 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide

4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide (PubChem CID 50825278) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
PubChem CID50825278
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(C#N)cc4)ccc3n2C)cc1
InChIInChI=1S/C25H23N5O3S/c1-16(2)27-25(31)19-8-6-18(7-9-19)24-28-22-14-20(10-13-23(22)30(24)3)29-34(32,33)21-11-4-17(15-26)5-12-21/h4-14,16,29H,1-3H3,(H,27,31)
InChIKeyRITGOSCSUDBNIS-UHFFFAOYSA-N
XLogP4.05
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
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
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933132
4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
CID 122690142

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide (CID 50825278) is 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(C#N)cc4)ccc3n2C)cc1.
What is the InChIKey of 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is RITGOSCSUDBNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-16(2)27-25(31)19-8-6-18(7-9-19)24-28-22-14-20(10-13-23(22)30(24)3)29-34(32,33)21-11-4-17(15-26)5-12-21/h4-14,16,29H,1-3H3,(H,27,31).
What are the key properties of 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 473.56 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50825278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).