4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide

C22H21N3O5S — CID 3939714

IUPAC4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H21N3O5S/c1-25(19-5-3-4-6-20(19)30-2)31(28,29)18-13-9-16(10-14-18)22(27)24-17-11-7-15(8-12-17)21(23)26/h3-14H,1-2H3,(H2,23,26)(H,24,27)
InChIKeyOIKRZQLOYCDDLV-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.87
Rot. Bonds7

About 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide

4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide (PubChem CID 3939714) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
PubChem CID3939714
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H21N3O5S/c1-25(19-5-3-4-6-20(19)30-2)31(28,29)18-13-9-16(10-14-18)22(27)24-17-11-7-15(8-12-17)21(23)26/h3-14H,1-2H3,(H2,23,26)(H,24,27)
InChIKeyOIKRZQLOYCDDLV-UHFFFAOYSA-N
XLogP2.87
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide (CID 3939714) is 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
The InChIKey is OIKRZQLOYCDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-25(19-5-3-4-6-20(19)30-2)31(28,29)18-13-9-16(10-14-18)22(27)24-17-11-7-15(8-12-17)21(23)26/h3-14H,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide has a molecular weight of 439.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 3939714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).