6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide

C26H28N4O3S — CID 42436791

IUPAC6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12
InChIInChI=1S/C26H28N4O3S/c1-4-29(18-20-12-8-6-9-13-20)26(31)23-16-21(17-24-25(23)30(5-2)19(3)27-24)28-34(32,33)22-14-10-7-11-15-22/h6-17,28H,4-5,18H2,1-3H3
InChIKeyMFHKJQZYZLXUFU-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.83
Rot. Bonds8

About 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide

6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide (PubChem CID 42436791) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide
PubChem CID42436791
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12
InChIInChI=1S/C26H28N4O3S/c1-4-29(18-20-12-8-6-9-13-20)26(31)23-16-21(17-24-25(23)30(5-2)19(3)27-24)28-34(32,33)22-14-10-7-11-15-22/h6-17,28H,4-5,18H2,1-3H3
InChIKeyMFHKJQZYZLXUFU-UHFFFAOYSA-N
XLogP4.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
CID 42436617
6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 42162903
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
5-(benzenesulfonamido)-2-(dibenzylamino)benzoic acid
CID 50766523
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
CID 16560694

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide?
The IUPAC name of 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide (CID 42436791) is 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12.
What is the InChIKey of 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide?
The InChIKey is MFHKJQZYZLXUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-4-29(18-20-12-8-6-9-13-20)26(31)23-16-21(17-24-25(23)30(5-2)19(3)27-24)28-34(32,33)22-14-10-7-11-15-22/h6-17,28H,4-5,18H2,1-3H3.
What are the key properties of 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide?
6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 42436791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).