3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide

C22H36N4O3S — CID 43008357

IUPAC3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC
InChIInChI=1S/C22H36N4O3S/c1-6-9-10-17(7-2)16-23-22(27)14-13-21-24-19-15-18(30(28,29)25(4)5)11-12-20(19)26(21)8-3/h11-12,15,17H,6-10,13-14,16H2,1-5H3,(H,23,27)
InChIKeyQNUHDEZCWVVUQJ-UHFFFAOYSA-N
MW436.62 g/mol
LogP3.57
Rot. Bonds12

About 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide (PubChem CID 43008357) has the molecular formula C22H36N4O3S and a molecular weight of 436.62 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide
PubChem CID43008357
Molecular FormulaC22H36N4O3S
Molecular Weight436.62 g/mol
Exact Mass436.25
IUPAC Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC
InChIInChI=1S/C22H36N4O3S/c1-6-9-10-17(7-2)16-23-22(27)14-13-21-24-19-15-18(30(28,29)25(4)5)11-12-20(19)26(21)8-3/h11-12,15,17H,6-10,13-14,16H2,1-5H3,(H,23,27)
InChIKeyQNUHDEZCWVVUQJ-UHFFFAOYSA-N
XLogP3.57
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 46797564
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 55454793
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-butan-2-yl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 75807833

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide (CID 43008357) is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide is CCCCC(CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide?
The InChIKey is QNUHDEZCWVVUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3S/c1-6-9-10-17(7-2)16-23-22(27)14-13-21-24-19-15-18(30(28,29)25(4)5)11-12-20(19)26(21)8-3/h11-12,15,17H,6-10,13-14,16H2,1-5H3,(H,23,27).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide?
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide has a molecular weight of 436.62 g/mol, XLogP of 3.57, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide is sourced from PubChem (CID 43008357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).