4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide

C25H27N3O4S — CID 55595158

IUPAC4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-17-4-7-22(18(2)14-17)16-26-25(30)21-8-5-20(6-9-21)15-27-33(31,32)24-12-10-23(11-13-24)28-19(3)29/h4-14,27H,15-16H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyJLDHYHVLMAYBMX-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.67
Rot. Bonds8

About 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide (PubChem CID 55595158) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
PubChem CID55595158
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-17-4-7-22(18(2)14-17)16-26-25(30)21-8-5-20(6-9-21)15-27-33(31,32)24-12-10-23(11-13-24)28-19(3)29/h4-14,27H,15-16H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyJLDHYHVLMAYBMX-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607
4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587606
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide?
The IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide (CID 55595158) is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide?
The InChIKey is JLDHYHVLMAYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17-4-7-22(18(2)14-17)16-26-25(30)21-8-5-20(6-9-21)15-27-33(31,32)24-12-10-23(11-13-24)28-19(3)29/h4-14,27H,15-16H2,1-3H3,(H,26,30)(H,28,29).
What are the key properties of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide?
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 55595158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).