ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate

C20H24N2O6S — CID 45375322

IUPACethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-13-21-29(25,26)18-11-9-17(10-12-18)28-14-19(23)22-16-7-5-15(6-8-16)20(24)27-4-2/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyDQUNOIXAYCUHCL-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.57
Rot. Bonds10

About ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate

ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 45375322) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID45375322
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-13-21-29(25,26)18-11-9-17(10-12-18)28-14-19(23)22-16-7-5-15(6-8-16)20(24)27-4-2/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyDQUNOIXAYCUHCL-UHFFFAOYSA-N
XLogP2.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932605
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17093270
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 45375322) is ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate is CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is DQUNOIXAYCUHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-13-21-29(25,26)18-11-9-17(10-12-18)28-14-19(23)22-16-7-5-15(6-8-16)20(24)27-4-2/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate?
ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 420.49 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 45375322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).