[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C22H20N2O5S — CID 2499682

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C22H20N2O5S/c25-21(24-12-11-17-6-3-4-8-20(17)24)15-29-22(26)14-23-30(27,28)19-10-9-16-5-1-2-7-18(16)13-19/h1-10,13,23H,11-12,14-15H2
InChIKeyNTVKJNKXFCGXIW-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.25
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 2499682) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID2499682
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C22H20N2O5S/c25-21(24-12-11-17-6-3-4-8-20(17)24)15-29-22(26)14-23-30(27,28)19-10-9-16-5-1-2-7-18(16)13-19/h1-10,13,23H,11-12,14-15H2
InChIKeyNTVKJNKXFCGXIW-UHFFFAOYSA-N
XLogP2.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 5016410
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906483
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983051
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7913053
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523992
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 42982393
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516050

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 2499682) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is NTVKJNKXFCGXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c25-21(24-12-11-17-6-3-4-8-20(17)24)15-29-22(26)14-23-30(27,28)19-10-9-16-5-1-2-7-18(16)13-19/h1-10,13,23H,11-12,14-15H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 424.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 2499682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).