3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide

C22H28N4O5S — CID 53064189

IUPAC3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C22H28N4O5S/c1-5-26(6-2)32(28,29)19-7-8-21-20(14-19)23-15-25(21)10-9-22(27)24-16-11-17(30-3)13-18(12-16)31-4/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,24,27)
InChIKeyITTAAUVXZBNKDS-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.11
Rot. Bonds10

About 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 53064189) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID53064189
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C22H28N4O5S/c1-5-26(6-2)32(28,29)19-7-8-21-20(14-19)23-15-25(21)10-9-22(27)24-16-11-17(30-3)13-18(12-16)31-4/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,24,27)
InChIKeyITTAAUVXZBNKDS-UHFFFAOYSA-N
XLogP3.11
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 53064197
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 53064222
N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064134
ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064207
N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064107
N-(3,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 30878815
2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 23989847
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(4-fluorophenyl)propanamide
CID 53064527
N-(4-acetamidophenyl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064568
ethyl 3-[3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanoylamino]benzoate
CID 53064019

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide (CID 53064189) is 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is ITTAAUVXZBNKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-5-26(6-2)32(28,29)19-7-8-21-20(14-19)23-15-25(21)10-9-22(27)24-16-11-17(30-3)13-18(12-16)31-4/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,24,27).
What are the key properties of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide?
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 460.56 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 53064189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).