3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide

C26H30N4O3S — CID 26087233

IUPAC3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc3ccccc13)n2CC
InChIInChI=1S/C26H30N4O3S/c1-4-29(5-2)34(32,33)20-14-15-24-23(18-20)27-25(30(24)6-3)16-17-26(31)28-22-13-9-11-19-10-7-8-12-21(19)22/h7-15,18H,4-6,16-17H2,1-3H3,(H,28,31)
InChIKeyGLTFCCWEESJYGR-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.81
Rot. Bonds9

About 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 26087233) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
PubChem CID26087233
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc3ccccc13)n2CC
InChIInChI=1S/C26H30N4O3S/c1-4-29(5-2)34(32,33)20-14-15-24-23(18-20)27-25(30(24)6-3)16-17-26(31)28-22-13-9-11-19-10-7-8-12-21(19)22/h7-15,18H,4-6,16-17H2,1-3H3,(H,28,31)
InChIKeyGLTFCCWEESJYGR-UHFFFAOYSA-N
XLogP4.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4820473
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide
CID 112808710
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 35613656
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 43034386
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 30279634
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-methylpropanamide
CID 51156099

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide (CID 26087233) is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc3ccccc13)n2CC.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is GLTFCCWEESJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-4-29(5-2)34(32,33)20-14-15-24-23(18-20)27-25(30(24)6-3)16-17-26(31)28-22-13-9-11-19-10-7-8-12-21(19)22/h7-15,18H,4-6,16-17H2,1-3H3,(H,28,31).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide?
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 478.62 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 26087233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).