1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide

C18H19N3O3S — CID 34640881

IUPAC1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C18H19N3O3S/c1-19-25(23,24)14-7-5-6-13(10-14)11-20-18(22)16-12-21(2)17-9-4-3-8-15(16)17/h3-10,12,19H,11H2,1-2H3,(H,20,22)
InChIKeyLRIDZQLNAMTPBM-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.02
Rot. Bonds5

About 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide

1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide (PubChem CID 34640881) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
PubChem CID34640881
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C18H19N3O3S/c1-19-25(23,24)14-7-5-6-13(10-14)11-20-18(22)16-12-21(2)17-9-4-3-8-15(16)17/h3-10,12,19H,11H2,1-2H3,(H,20,22)
InChIKeyLRIDZQLNAMTPBM-UHFFFAOYSA-N
XLogP2.02
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55933427
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 38972126
1,3-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34644381
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide (CID 34640881) is 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is LRIDZQLNAMTPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-19-25(23,24)14-7-5-6-13(10-14)11-20-18(22)16-12-21(2)17-9-4-3-8-15(16)17/h3-10,12,19H,11H2,1-2H3,(H,20,22).
What are the key properties of 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide?
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 34640881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).