2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

C19H21N3O3S — CID 31996620

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)Cc2c(C)[nH]c3ccccc23)ccc1C
InChIInChI=1S/C19H21N3O3S/c1-12-8-9-14(10-18(12)26(24,25)20-3)22-19(23)11-16-13(2)21-17-7-5-4-6-15(16)17/h4-10,20-21H,11H2,1-3H3,(H,22,23)
InChIKeyMYHQNQGDJZQESR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 31996620) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID31996620
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)Cc2c(C)[nH]c3ccccc23)ccc1C
InChIInChI=1S/C19H21N3O3S/c1-12-8-9-14(10-18(12)26(24,25)20-3)22-19(23)11-16-13(2)21-17-7-5-4-6-15(16)17/h4-10,20-21H,11H2,1-3H3,(H,22,23)
InChIKeyMYHQNQGDJZQESR-UHFFFAOYSA-N
XLogP2.87
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.87
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

N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24646802
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (CID 31996620) is 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)Cc2c(C)[nH]c3ccccc23)ccc1C.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is MYHQNQGDJZQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-8-9-14(10-18(12)26(24,25)20-3)22-19(23)11-16-13(2)21-17-7-5-4-6-15(16)17/h4-10,20-21H,11H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 31996620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).