3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide

C14H19N3O3S — CID 70730395

IUPAC3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-12-11(8-9)10(2)13(17-12)14(18)16-6-7-21(19,20)15-3/h4-5,8,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyWXNXIOMMFZYPFO-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.06
Rot. Bonds5

About 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide

3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 70730395) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
PubChem CID70730395
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-12-11(8-9)10(2)13(17-12)14(18)16-6-7-21(19,20)15-3/h4-5,8,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyWXNXIOMMFZYPFO-UHFFFAOYSA-N
XLogP1.06
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
2-amino-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332725
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide
CID 71916340
2-(ethylamino)-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106342518
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
CID 113205000
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
5-methyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]benzoic acid
CID 106340540

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide (CID 70730395) is 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide is CNS(=O)(=O)CCNC(=O)c1[nH]c2ccc(C)cc2c1C.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is WXNXIOMMFZYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-4-5-12-11(8-9)10(2)13(17-12)14(18)16-6-7-21(19,20)15-3/h4-5,8,15,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70730395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).