methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate

C23H22N2O6S — CID 126198183

IUPACmethyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O6S/c1-30-23(27)18-7-9-19(10-8-18)25-22(26)16-31-20-11-13-21(14-12-20)32(28,29)24-15-17-5-3-2-4-6-17/h2-14,24H,15-16H2,1H3,(H,25,26)
InChIKeyQXVNLEADSPPTTI-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.97
Rot. Bonds9

About methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate

methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 126198183) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID126198183
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Namemethyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O6S/c1-30-23(27)18-7-9-19(10-8-18)25-22(26)16-31-20-11-13-21(14-12-20)32(28,29)24-15-17-5-3-2-4-6-17/h2-14,24H,15-16H2,1H3,(H,25,26)
InChIKeyQXVNLEADSPPTTI-UHFFFAOYSA-N
XLogP2.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126152181
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 126198183) is methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is QXVNLEADSPPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-30-23(27)18-7-9-19(10-8-18)25-22(26)16-31-20-11-13-21(14-12-20)32(28,29)24-15-17-5-3-2-4-6-17/h2-14,24H,15-16H2,1H3,(H,25,26).
What are the key properties of methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate?
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 454.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 126198183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).