N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

C24H31ClN4O3S — CID 112761351

IUPACN-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC(C)c1ccc(Cl)cc1)n2CC
InChIInChI=1S/C24H31ClN4O3S/c1-5-28(6-2)33(31,32)20-12-13-22-21(16-20)27-23(29(22)7-3)14-15-24(30)26-17(4)18-8-10-19(25)11-9-18/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,26,30)
InChIKeyZSRUJVLHFKAARN-UHFFFAOYSA-N
MW491.06 g/mol
LogP4.55
Rot. Bonds10

About N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (PubChem CID 112761351) has the molecular formula C24H31ClN4O3S and a molecular weight of 491.06 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
PubChem CID112761351
Molecular FormulaC24H31ClN4O3S
Molecular Weight491.06 g/mol
Exact Mass490.18
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC(C)c1ccc(Cl)cc1)n2CC
InChIInChI=1S/C24H31ClN4O3S/c1-5-28(6-2)33(31,32)20-12-13-22-21(16-20)27-23(29(22)7-3)14-15-24(30)26-17(4)18-8-10-19(25)11-9-18/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,26,30)
InChIKeyZSRUJVLHFKAARN-UHFFFAOYSA-N
XLogP4.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.06
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42999113
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
N-[1-(3-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42998546
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide
CID 43031448
N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 42987416
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 3899402
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 40589321

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (CID 112761351) is N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC(C)c1ccc(Cl)cc1)n2CC.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The InChIKey is ZSRUJVLHFKAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3S/c1-5-28(6-2)33(31,32)20-12-13-22-21(16-20)27-23(29(22)7-3)14-15-24(30)26-17(4)18-8-10-19(25)11-9-18/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,26,30).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide has a molecular weight of 491.06 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 112761351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).