2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide

C24H38N4O4S — CID 55976973

IUPAC2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide
SMILESCCCn1c(CCC(=O)N2CCC(OCC)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C24H38N4O4S/c1-5-15-28-22-10-9-20(33(30,31)27(6-2)7-3)18-21(22)25-23(28)11-12-24(29)26-16-13-19(14-17-26)32-8-4/h9-10,18-19H,5-8,11-17H2,1-4H3
InChIKeyDKDXNLUMHAZHGG-UHFFFAOYSA-N
MW478.66 g/mol
LogP3.44
Rot. Bonds11

About 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide

2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide (PubChem CID 55976973) has the molecular formula C24H38N4O4S and a molecular weight of 478.66 g/mol. Its IUPAC name is 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide
PubChem CID55976973
Molecular FormulaC24H38N4O4S
Molecular Weight478.66 g/mol
Exact Mass478.26
IUPAC Name2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide
SMILESCCCn1c(CCC(=O)N2CCC(OCC)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C24H38N4O4S/c1-5-15-28-22-10-9-20(33(30,31)27(6-2)7-3)18-21(22)25-23(28)11-12-24(29)26-16-13-19(14-17-26)32-8-4/h9-10,18-19H,5-8,11-17H2,1-4H3
InChIKeyDKDXNLUMHAZHGG-UHFFFAOYSA-N
XLogP3.44
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 39258133
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005366
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26880672
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
1-butyl-N,N-dimethyl-2-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzimidazole-5-sulfonamide
CID 46655920
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 3899402
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542
ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
CID 55985441
2-[3-(2-benzylpyrrolidin-1-yl)-3-oxopropyl]-1-butyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 46577067
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide (CID 55976973) is 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide is CCCn1c(CCC(=O)N2CCC(OCC)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide?
The InChIKey is DKDXNLUMHAZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4S/c1-5-15-28-22-10-9-20(33(30,31)27(6-2)7-3)18-21(22)25-23(28)11-12-24(29)26-16-13-19(14-17-26)32-8-4/h9-10,18-19H,5-8,11-17H2,1-4H3.
What are the key properties of 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide?
2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide has a molecular weight of 478.66 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 55976973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).