4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide

C23H23N3O5S — CID 126393732

IUPAC4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H23N3O5S/c1-16-13-20(32(29,30)25-14-17-5-3-2-4-6-17)11-12-21(16)31-15-22(27)26-19-9-7-18(8-10-19)23(24)28/h2-13,25H,14-15H2,1H3,(H2,24,28)(H,26,27)
InChIKeyGPSZMNMFOIZBSA-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.59
Rot. Bonds9

About 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide

4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide (PubChem CID 126393732) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
PubChem CID126393732
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H23N3O5S/c1-16-13-20(32(29,30)25-14-17-5-3-2-4-6-17)11-12-21(16)31-15-22(27)26-19-9-7-18(8-10-19)23(24)28/h2-13,25H,14-15H2,1H3,(H2,24,28)(H,26,27)
InChIKeyGPSZMNMFOIZBSA-UHFFFAOYSA-N
XLogP2.59
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100796723
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126392144
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
CID 126394650
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
ethyl 4-[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]piperazine-1-carboxylate
CID 4315024

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide (CID 126393732) is 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide is Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide?
The InChIKey is GPSZMNMFOIZBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-16-13-20(32(29,30)25-14-17-5-3-2-4-6-17)11-12-21(16)31-15-22(27)26-19-9-7-18(8-10-19)23(24)28/h2-13,25H,14-15H2,1H3,(H2,24,28)(H,26,27).
What are the key properties of 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide?
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide has a molecular weight of 453.52 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 126393732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).