3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C25H27N3O5S — CID 55609521

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c2)cc1
InChIInChI=1S/C25H27N3O5S/c1-17(2)24(29)26-19-8-6-9-20(16-19)27-25(30)18-7-5-10-23(15-18)34(31,32)28(3)21-11-13-22(33-4)14-12-21/h5-17H,1-4H3,(H,26,29)(H,27,30)
InChIKeyOZPOVWXUOMBHOR-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.37
Rot. Bonds8

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 55609521) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID55609521
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c2)cc1
InChIInChI=1S/C25H27N3O5S/c1-17(2)24(29)26-19-8-6-9-20(16-19)27-25(30)18-7-5-10-23(15-18)34(31,32)28(3)21-11-13-22(33-4)14-12-21/h5-17H,1-4H3,(H,26,29)(H,27,30)
InChIKeyOZPOVWXUOMBHOR-UHFFFAOYSA-N
XLogP4.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55655520
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55778587

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 55609521) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is OZPOVWXUOMBHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17(2)24(29)26-19-8-6-9-20(16-19)27-25(30)18-7-5-10-23(15-18)34(31,32)28(3)21-11-13-22(33-4)14-12-21/h5-17H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 55609521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).