3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide

C19H26N6O3S — CID 47835470

IUPAC3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide
SMILESCCCCn1c(CCC(=O)Nc2ccn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H26N6O3S/c1-4-5-12-25-16-7-6-14(29(27,28)24(2)3)13-15(16)21-18(25)8-9-19(26)22-17-10-11-20-23-17/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H2,20,22,23,26)
InChIKeyDDEAVTGCHRNWAU-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.38
Rot. Bonds9

About 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 47835470) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide
PubChem CID47835470
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Name3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide
SMILESCCCCn1c(CCC(=O)Nc2ccn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H26N6O3S/c1-4-5-12-25-16-7-6-14(29(27,28)24(2)3)13-15(16)21-18(25)8-9-19(26)22-17-10-11-20-23-17/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H2,20,22,23,26)
InChIKeyDDEAVTGCHRNWAU-UHFFFAOYSA-N
XLogP2.38
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 40601283
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 55331363
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 42987416
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 30697711
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 25330921
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 30534455
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 31103674
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393

Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide (CID 47835470) is 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide is CCCCn1c(CCC(=O)Nc2ccn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is DDEAVTGCHRNWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-4-5-12-25-16-7-6-14(29(27,28)24(2)3)13-15(16)21-18(25)8-9-19(26)22-17-10-11-20-23-17/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H2,20,22,23,26).
What are the key properties of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide?
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 47835470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).