[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate

C22H20N2O5S — CID 27309776

IUPAC[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H20N2O5S/c23-30(27,28)18-8-9-20-17(12-18)10-11-24(20)21(25)14-29-22(26)13-16-6-3-5-15-4-1-2-7-19(15)16/h1-9,12H,10-11,13-14H2,(H2,23,27,28)
InChIKeyWDZYAHUFMFUJPI-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.16
Rot. Bonds5

About [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate (PubChem CID 27309776) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
PubChem CID27309776
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H20N2O5S/c23-30(27,28)18-8-9-20-17(12-18)10-11-24(20)21(25)14-29-22(26)13-16-6-3-5-15-4-1-2-7-19(15)16/h1-9,12H,10-11,13-14H2,(H2,23,27,28)
InChIKeyWDZYAHUFMFUJPI-UHFFFAOYSA-N
XLogP2.16
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 166196741
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934781
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489293

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate (CID 27309776) is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate?
The InChIKey is WDZYAHUFMFUJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c23-30(27,28)18-8-9-20-17(12-18)10-11-24(20)21(25)14-29-22(26)13-16-6-3-5-15-4-1-2-7-19(15)16/h1-9,12H,10-11,13-14H2,(H2,23,27,28).
What are the key properties of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate?
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate has a molecular weight of 424.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 27309776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).