N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide

C12H15N3O3S — CID 84541178

IUPACN-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O3S/c1-13-19(17,18)7-6-14-12(16)10-8-15-11-5-3-2-4-9(10)11/h2-5,8,13,15H,6-7H2,1H3,(H,14,16)
InChIKeyAIGDCMXHGLDKFV-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.45
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide

N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 84541178) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
PubChem CID84541178
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O3S/c1-13-19(17,18)7-6-14-12(16)10-8-15-11-5-3-2-4-9(10)11/h2-5,8,13,15H,6-7H2,1H3,(H,14,16)
InChIKeyAIGDCMXHGLDKFV-UHFFFAOYSA-N
XLogP0.45
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
CID 115729499
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide (CID 84541178) is N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide is CNS(=O)(=O)CCNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is AIGDCMXHGLDKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-13-19(17,18)7-6-14-12(16)10-8-15-11-5-3-2-4-9(10)11/h2-5,8,13,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 84541178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).