N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide

C13H17N3O3S — CID 25247182

IUPACN-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide
SMILESCC(C)CNS(=O)(=O)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O3S/c1-9(2)7-15-20(18,19)16-13(17)11-8-14-12-6-4-3-5-10(11)12/h3-6,8-9,14-15H,7H2,1-2H3,(H,16,17)
InChIKeyVTXQHNWPFBXHMG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.39
Rot. Bonds5

About N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide

N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide (PubChem CID 25247182) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide
PubChem CID25247182
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide
SMILESCC(C)CNS(=O)(=O)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O3S/c1-9(2)7-15-20(18,19)16-13(17)11-8-14-12-6-4-3-5-10(11)12/h3-6,8-9,14-15H,7H2,1-2H3,(H,16,17)
InChIKeyVTXQHNWPFBXHMG-UHFFFAOYSA-N
XLogP1.39
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide (CID 25247182) is N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide is CC(C)CNS(=O)(=O)NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide?
The InChIKey is VTXQHNWPFBXHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)7-15-20(18,19)16-13(17)11-8-14-12-6-4-3-5-10(11)12/h3-6,8-9,14-15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide?
N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 25247182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).