2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide

C23H36N6O4S — CID 41363685

IUPAC2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1
InChIInChI=1S/C23H36N6O4S/c1-6-28(7-2)23(31)17-27-12-14-29(15-13-27)22(30)11-10-21-24-19-16-18(34(32,33)25(3)4)8-9-20(19)26(21)5/h8-9,16H,6-7,10-15,17H2,1-5H3
InChIKeyPFSCLDLTZJGULD-UHFFFAOYSA-N
MW492.65 g/mol
LogP0.77
Rot. Bonds9

About 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 41363685) has the molecular formula C23H36N6O4S and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID41363685
Molecular FormulaC23H36N6O4S
Molecular Weight492.65 g/mol
Exact Mass492.25
IUPAC Name2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1
InChIInChI=1S/C23H36N6O4S/c1-6-28(7-2)23(31)17-27-12-14-29(15-13-27)22(30)11-10-21-24-19-16-18(34(32,33)25(3)4)8-9-20(19)26(21)5/h8-9,16H,6-7,10-15,17H2,1-5H3
InChIKeyPFSCLDLTZJGULD-UHFFFAOYSA-N
XLogP0.77
TPSA99.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55971058
2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566497
2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 24615493
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide
CID 43064901
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide (CID 41363685) is 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1.
What is the InChIKey of 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is PFSCLDLTZJGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O4S/c1-6-28(7-2)23(31)17-27-12-14-29(15-13-27)22(30)11-10-21-24-19-16-18(34(32,33)25(3)4)8-9-20(19)26(21)5/h8-9,16H,6-7,10-15,17H2,1-5H3.
What are the key properties of 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 492.65 g/mol, XLogP of 0.77, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 41363685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).