2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide

C14H19N3O4S — CID 56863020

IUPAC2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H19N3O4S/c1-16(2)22(20,21)10-8-15-13(18)14(19)17-9-7-11-5-3-4-6-12(11)17/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyNPZRJVBWRWZFHW-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.42
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide

2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide (PubChem CID 56863020) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide
PubChem CID56863020
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H19N3O4S/c1-16(2)22(20,21)10-8-15-13(18)14(19)17-9-7-11-5-3-4-6-12(11)17/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyNPZRJVBWRWZFHW-UHFFFAOYSA-N
XLogP-0.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide (CID 56863020) is 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide is CN(C)S(=O)(=O)CCNC(=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide?
The InChIKey is NPZRJVBWRWZFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-16(2)22(20,21)10-8-15-13(18)14(19)17-9-7-11-5-3-4-6-12(11)17/h3-6H,7-10H2,1-2H3,(H,15,18).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide?
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide has a molecular weight of 325.39 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 56863020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).