3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide

C23H28N6O3S — CID 112808710

IUPAC3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3[nH]ncc3c1)n2CC
InChIInChI=1S/C23H28N6O3S/c1-4-28(5-2)33(31,32)18-8-10-21-20(14-18)26-22(29(21)6-3)11-12-23(30)25-17-7-9-19-16(13-17)15-24-27-19/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyOXALVRIADQTEDN-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.53
Rot. Bonds9

About 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide (PubChem CID 112808710) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide
PubChem CID112808710
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3[nH]ncc3c1)n2CC
InChIInChI=1S/C23H28N6O3S/c1-4-28(5-2)33(31,32)18-8-10-21-20(14-18)26-22(29(21)6-3)11-12-23(30)25-17-7-9-19-16(13-17)15-24-27-19/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyOXALVRIADQTEDN-UHFFFAOYSA-N
XLogP3.53
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 26736268
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
methyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]thiophene-3-carboxylate
CID 55811912
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 3899402
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(3-nitrophenyl)propanamide
CID 24638603
N-[4-(cyanomethyl)phenyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 35705492
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041625
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide (CID 112808710) is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3[nH]ncc3c1)n2CC.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide?
The InChIKey is OXALVRIADQTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-4-28(5-2)33(31,32)18-8-10-21-20(14-18)26-22(29(21)6-3)11-12-23(30)25-17-7-9-19-16(13-17)15-24-27-19/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)(H,25,30).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide?
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide has a molecular weight of 468.58 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide is sourced from PubChem (CID 112808710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).