[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate

C20H21N3O5S — CID 35192559

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H21N3O5S/c1-13-19(16-4-2-3-5-17(16)23-13)20(25)28-12-18(24)22-11-10-14-6-8-15(9-7-14)29(21,26)27/h2-9,23H,10-12H2,1H3,(H,22,24)(H2,21,26,27)
InChIKeyWDZGORJGMMACQW-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.64
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate (PubChem CID 35192559) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
PubChem CID35192559
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H21N3O5S/c1-13-19(16-4-2-3-5-17(16)23-13)20(25)28-12-18(24)22-11-10-14-6-8-15(9-7-14)29(21,26)27/h2-9,23H,10-12H2,1H3,(H,22,24)(H2,21,26,27)
InChIKeyWDZGORJGMMACQW-UHFFFAOYSA-N
XLogP1.64
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate (CID 35192559) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate?
The InChIKey is WDZGORJGMMACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-13-19(16-4-2-3-5-17(16)23-13)20(25)28-12-18(24)22-11-10-14-6-8-15(9-7-14)29(21,26)27/h2-9,23H,10-12H2,1H3,(H,22,24)(H2,21,26,27).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate has a molecular weight of 415.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 35192559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).