N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

C26H28N4O3S — CID 55814441

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H28N4O3S/c1-4-17(2)24(25-27-22-11-7-8-12-23(22)28-25)29-26(31)19-13-15-20(16-14-19)34(32,33)30-21-10-6-5-9-18(21)3/h5-17,24,30H,4H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyOJSBOZHOFPMYRD-UHFFFAOYSA-N
MW476.60 g/mol
LogP5.19
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 55814441) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID55814441
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H28N4O3S/c1-4-17(2)24(25-27-22-11-7-8-12-23(22)28-25)29-26(31)19-13-15-20(16-14-19)34(32,33)30-21-10-6-5-9-18(21)3/h5-17,24,30H,4H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyOJSBOZHOFPMYRD-UHFFFAOYSA-N
XLogP5.19
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(propylsulfonylamino)benzamide
CID 51966007
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(methylsulfonylmethyl)benzamide
CID 55812354
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55877710
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55882295
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-ethoxy-4-methoxybenzamide
CID 55814527
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552652
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55863434
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 55862417

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 55814441) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is CCC(C)C(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is OJSBOZHOFPMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-4-17(2)24(25-27-22-11-7-8-12-23(22)28-25)29-26(31)19-13-15-20(16-14-19)34(32,33)30-21-10-6-5-9-18(21)3/h5-17,24,30H,4H2,1-3H3,(H,27,28)(H,29,31).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 476.60 g/mol, XLogP of 5.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55814441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).