5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C22H28N4O3S — CID 26444084

IUPAC5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C22H28N4O3S/c1-5-25(6-2)30(28,29)18-12-11-16(3)19(15-18)22(27)23-13-14-26-17(4)24-20-9-7-8-10-21(20)26/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,27)
InChIKeyJFMIQTFBIHKOPA-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.11
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 26444084) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID26444084
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C22H28N4O3S/c1-5-25(6-2)30(28,29)18-12-11-16(3)19(15-18)22(27)23-13-14-26-17(4)24-20-9-7-8-10-21(20)26/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,27)
InChIKeyJFMIQTFBIHKOPA-UHFFFAOYSA-N
XLogP3.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 26443914
methyl 5-(diethylsulfamoyl)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]benzoate
CID 25333479
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 55913591
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40796147
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31789852
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 56516205
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 26444084) is 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is JFMIQTFBIHKOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-5-25(6-2)30(28,29)18-12-11-16(3)19(15-18)22(27)23-13-14-26-17(4)24-20-9-7-8-10-21(20)26/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,27).
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 428.56 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 26444084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).