[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate

C24H24N2O7S — CID 42981356

IUPAC[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESNS(=O)(=O)c1ccc(CNC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O7S/c25-34(29,30)22-12-6-18(7-13-22)14-26-23(27)16-33-24(28)17-32-21-10-8-20(9-11-21)31-15-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,27)(H2,25,29,30)
InChIKeyFGKKGQMWUMBVEM-UHFFFAOYSA-N
MW484.53 g/mol
LogP2.15
Rot. Bonds11

About [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 42981356) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID42981356
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESNS(=O)(=O)c1ccc(CNC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O7S/c25-34(29,30)22-12-6-18(7-13-22)14-26-23(27)16-33-24(28)17-32-21-10-8-20(9-11-21)31-15-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,27)(H2,25,29,30)
InChIKeyFGKKGQMWUMBVEM-UHFFFAOYSA-N
XLogP2.15
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate with MolForge

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Related Compounds

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575023
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
[2-(benzylamino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530867
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 42981356) is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate is NS(=O)(=O)c1ccc(CNC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is FGKKGQMWUMBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c25-34(29,30)22-12-6-18(7-13-22)14-26-23(27)16-33-24(28)17-32-21-10-8-20(9-11-21)31-15-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,27)(H2,25,29,30).
What are the key properties of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 484.53 g/mol, XLogP of 2.15, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 42981356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).