N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide

C20H24N4O5S — CID 53064134

IUPACN-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C20H24N4O5S/c1-23(2)30(26,27)15-6-7-18-16(12-15)21-13-24(18)10-9-20(25)22-17-11-14(28-3)5-8-19(17)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,25)
InChIKeyXISIDDUXAZRVDZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.33
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide (PubChem CID 53064134) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
PubChem CID53064134
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C20H24N4O5S/c1-23(2)30(26,27)15-6-7-18-16(12-15)21-13-24(18)10-9-20(25)22-17-11-14(28-3)5-8-19(17)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,25)
InChIKeyXISIDDUXAZRVDZ-UHFFFAOYSA-N
XLogP2.33
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 53064189
N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064107
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
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-(azepan-1-yl)ethyl]-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064146
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 4234348
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
N-(3,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 30878815
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide (CID 53064134) is N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide is COc1ccc(OC)c(NC(=O)CCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
The InChIKey is XISIDDUXAZRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-23(2)30(26,27)15-6-7-18-16(12-15)21-13-24(18)10-9-20(25)22-17-11-14(28-3)5-8-19(17)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide has a molecular weight of 432.50 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 53064134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).