N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide

C25H27N3O4S — CID 17154248

IUPACN-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18-7-11-20(12-8-18)17-26-25(30)22-5-3-4-6-23(22)28-24(29)15-16-27-33(31,32)21-13-9-19(2)10-14-21/h3-14,27H,15-17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyFYRKPAULUWXTTQ-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.54
Rot. Bonds9

About N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide

N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 17154248) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID17154248
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18-7-11-20(12-8-18)17-26-25(30)22-5-3-4-6-23(22)28-24(29)15-16-27-33(31,32)21-13-9-19(2)10-14-21/h3-14,27H,15-17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyFYRKPAULUWXTTQ-UHFFFAOYSA-N
XLogP3.54
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
CID 86807944
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457
2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55345425
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide (CID 17154248) is N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is FYRKPAULUWXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-18-7-11-20(12-8-18)17-26-25(30)22-5-3-4-6-23(22)28-24(29)15-16-27-33(31,32)21-13-9-19(2)10-14-21/h3-14,27H,15-17H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide?
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 17154248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).