2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide

C22H34N6O4S — CID 55566497

IUPAC2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1
InChIInChI=1S/C22H34N6O4S/c1-5-23-21(29)16-26-11-13-27(14-12-26)22(30)10-9-20-24-18-15-17(33(31,32)25(3)4)7-8-19(18)28(20)6-2/h7-8,15H,5-6,9-14,16H2,1-4H3,(H,23,29)
InChIKeyHWDCTTKQSYLWBQ-UHFFFAOYSA-N
MW478.62 g/mol
LogP0.52
Rot. Bonds9

About 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 55566497) has the molecular formula C22H34N6O4S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID55566497
Molecular FormulaC22H34N6O4S
Molecular Weight478.62 g/mol
Exact Mass478.24
IUPAC Name2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1
InChIInChI=1S/C22H34N6O4S/c1-5-23-21(29)16-26-11-13-27(14-12-26)22(30)10-9-20-24-18-15-17(33(31,32)25(3)4)7-8-19(18)28(20)6-2/h7-8,15H,5-6,9-14,16H2,1-4H3,(H,23,29)
InChIKeyHWDCTTKQSYLWBQ-UHFFFAOYSA-N
XLogP0.52
TPSA107.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 34450108
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 24665655
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 27883780
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethylhexyl)propanamide
CID 43008357

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide (CID 55566497) is 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1.
What is the InChIKey of 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is HWDCTTKQSYLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O4S/c1-5-23-21(29)16-26-11-13-27(14-12-26)22(30)10-9-20-24-18-15-17(33(31,32)25(3)4)7-8-19(18)28(20)6-2/h7-8,15H,5-6,9-14,16H2,1-4H3,(H,23,29).
What are the key properties of 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 478.62 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55566497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).