2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide

C15H22N4O3S — CID 56756587

IUPAC2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide
SMILESCNS(=O)(=O)CCNCc1c(C)n(CC(N)=O)c2ccccc12
InChIInChI=1S/C15H22N4O3S/c1-11-13(9-18-7-8-23(21,22)17-2)12-5-3-4-6-14(12)19(11)10-15(16)20/h3-6,17-18H,7-10H2,1-2H3,(H2,16,20)
InChIKeyWGSFHNNCYLKTHM-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.07
Rot. Bonds8

About 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide

2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide (PubChem CID 56756587) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide
PubChem CID56756587
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide
SMILESCNS(=O)(=O)CCNCc1c(C)n(CC(N)=O)c2ccccc12
InChIInChI=1S/C15H22N4O3S/c1-11-13(9-18-7-8-23(21,22)17-2)12-5-3-4-6-14(12)19(11)10-15(16)20/h3-6,17-18H,7-10H2,1-2H3,(H2,16,20)
InChIKeyWGSFHNNCYLKTHM-UHFFFAOYSA-N
XLogP0.07
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide
CID 46984032
2-[2-methyl-3-[[3-(3-oxopiperazin-1-yl)propylamino]methyl]indol-1-yl]acetamide
CID 46998836
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
2-[2-methyl-3-[[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethylamino]methyl]indol-1-yl]acetamide
CID 46988276
methyl 2-[[1-(2-amino-2-oxoethyl)-2-methylindol-3-yl]methylamino]-2-(3-methylphenyl)acetate
CID 46991508
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-methylethanesulfonamide
CID 102674859
2-[2-methyl-3-[[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]methyl]indol-1-yl]acetamide
CID 56738701
2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
CID 30674042
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16609928
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-1-amine
CID 17157200
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide (CID 56756587) is 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide is CNS(=O)(=O)CCNCc1c(C)n(CC(N)=O)c2ccccc12.
What is the InChIKey of 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide?
The InChIKey is WGSFHNNCYLKTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-11-13(9-18-7-8-23(21,22)17-2)12-5-3-4-6-14(12)19(11)10-15(16)20/h3-6,17-18H,7-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide?
2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 56756587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).