[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate

C22H20N2O6S — CID 31653771

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H20N2O6S/c1-15-11-12-17(31(23,27)28)13-18(15)22(26)29-14-21(25)24-19-9-5-6-10-20(19)30-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFPLNHUWVBYYBRL-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.23
Rot. Bonds7

About [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate

[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate (PubChem CID 31653771) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
PubChem CID31653771
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H20N2O6S/c1-15-11-12-17(31(23,27)28)13-18(15)22(26)29-14-21(25)24-19-9-5-6-10-20(19)30-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFPLNHUWVBYYBRL-UHFFFAOYSA-N
XLogP3.23
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849265
[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 31866861
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
CID 42985631
[2-[5-chloro-2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 41164066
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 46792804
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
CID 55525907
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849901
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890743
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988252
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate (CID 31653771) is [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate is Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate?
The InChIKey is FPLNHUWVBYYBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-15-11-12-17(31(23,27)28)13-18(15)22(26)29-14-21(25)24-19-9-5-6-10-20(19)30-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)(H2,23,27,28).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate has a molecular weight of 440.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate is sourced from PubChem (CID 31653771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).