4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide

C29H34N4O3S — CID 3567557

IUPAC4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C29H34N4O3S/c1-20(2)18-32(19-21(3)4)37(35,36)26-14-11-23(12-15-26)29(34)31-24-13-16-28-27(17-24)30-22(5)33(28)25-9-7-6-8-10-25/h6-17,20-21H,18-19H2,1-5H3,(H,31,34)
InChIKeyIFAUKEIDEVPDJH-UHFFFAOYSA-N
MW518.68 g/mol
LogP5.89
Rot. Bonds9

About 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide (PubChem CID 3567557) has the molecular formula C29H34N4O3S and a molecular weight of 518.68 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide
PubChem CID3567557
Molecular FormulaC29H34N4O3S
Molecular Weight518.68 g/mol
Exact Mass518.24
IUPAC Name4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C29H34N4O3S/c1-20(2)18-32(19-21(3)4)37(35,36)26-14-11-23(12-15-26)29(34)31-24-13-16-28-27(17-24)30-22(5)33(28)25-9-7-6-8-10-25/h6-17,20-21H,18-19H2,1-5H3,(H,31,34)
InChIKeyIFAUKEIDEVPDJH-UHFFFAOYSA-N
XLogP5.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18590086
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 71464436
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147322
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374
2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylbenzimidazole-5-carboxamide
CID 40718348

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide?
The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide (CID 3567557) is 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide?
The InChIKey is IFAUKEIDEVPDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3S/c1-20(2)18-32(19-21(3)4)37(35,36)26-14-11-23(12-15-26)29(34)31-24-13-16-28-27(17-24)30-22(5)33(28)25-9-7-6-8-10-25/h6-17,20-21H,18-19H2,1-5H3,(H,31,34).
What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide?
4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide has a molecular weight of 518.68 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 3567557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).