3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide

C15H19N7O3S — CID 30864976

IUPAC3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncn[nH]1)n2C
InChIInChI=1S/C15H19N7O3S/c1-21(2)26(24,25)10-4-5-12-11(8-10)18-13(22(12)3)6-7-14(23)19-15-16-9-17-20-15/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,19,20,23)
InChIKeyAESAKYVKFFTUDB-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.51
Rot. Bonds6

About 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30864976) has the molecular formula C15H19N7O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30864976
Molecular FormulaC15H19N7O3S
Molecular Weight377.43 g/mol
Exact Mass377.13
IUPAC Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncn[nH]1)n2C
InChIInChI=1S/C15H19N7O3S/c1-21(2)26(24,25)10-4-5-12-11(8-10)18-13(22(12)3)6-7-14(23)19-15-16-9-17-20-15/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,19,20,23)
InChIKeyAESAKYVKFFTUDB-UHFFFAOYSA-N
XLogP0.51
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
N-(4-bromo-3-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580498
N-(3,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 30878815
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26699059
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
CID 27889575
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
N,N,1-trimethyl-2-[3-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzimidazole-5-sulfonamide
CID 24642911

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30864976) is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide is CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncn[nH]1)n2C.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is AESAKYVKFFTUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3S/c1-21(2)26(24,25)10-4-5-12-11(8-10)18-13(22(12)3)6-7-14(23)19-15-16-9-17-20-15/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,19,20,23).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 377.43 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30864976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).