3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C25H27N3O4S — CID 55617491

IUPAC3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H27N3O4S/c1-17(2)24(29)27-21-10-7-11-22(15-21)28-25(30)20-13-12-18(3)23(14-20)33(31,32)26-16-19-8-5-4-6-9-19/h4-15,17,26H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyZRUOQWUIBMGZNC-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.32
Rot. Bonds8

About 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide

3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 55617491) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID55617491
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H27N3O4S/c1-17(2)24(29)27-21-10-7-11-22(15-21)28-25(30)20-13-12-18(3)23(14-20)33(31,32)26-16-19-8-5-4-6-9-19/h4-15,17,26H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyZRUOQWUIBMGZNC-UHFFFAOYSA-N
XLogP4.32
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
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CID 109060594
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
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N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 55617491) is 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is ZRUOQWUIBMGZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17(2)24(29)27-21-10-7-11-22(15-21)28-25(30)20-13-12-18(3)23(14-20)33(31,32)26-16-19-8-5-4-6-9-19/h4-15,17,26H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 55617491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).