N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide

C20H22N4O4S — CID 53064107

IUPACN-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C20H22N4O4S/c1-14(25)15-4-6-16(7-5-15)22-20(26)10-11-24-13-21-18-12-17(8-9-19(18)24)29(27,28)23(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)
InChIKeyIUYZGRNODSAVCE-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.52
Rot. Bonds7

About N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide

N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide (PubChem CID 53064107) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
PubChem CID53064107
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C20H22N4O4S/c1-14(25)15-4-6-16(7-5-15)22-20(26)10-11-24-13-21-18-12-17(8-9-19(18)24)29(27,28)23(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)
InChIKeyIUYZGRNODSAVCE-UHFFFAOYSA-N
XLogP2.52
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077664
N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064134
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 53064189
N-[2-(azepan-1-yl)ethyl]-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064146
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 53064222
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064207
N-(1,3-benzodioxol-5-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064059

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide (CID 53064107) is N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide is CC(=O)c1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
The InChIKey is IUYZGRNODSAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14(25)15-4-6-16(7-5-15)22-20(26)10-11-24-13-21-18-12-17(8-9-19(18)24)29(27,28)23(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide?
N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide has a molecular weight of 414.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 53064107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).