4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

C23H24N2O4S — CID 130431472

IUPAC4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-3-13-22(14-4-17)30(27,28)25-16-19-7-5-18(6-8-19)15-24-23(26)20-9-11-21(29-2)12-10-20/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyLCHINJGFQGSYTL-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.41
Rot. Bonds8

About 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (PubChem CID 130431472) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
PubChem CID130431472
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-3-13-22(14-4-17)30(27,28)25-16-19-7-5-18(6-8-19)15-24-23(26)20-9-11-21(29-2)12-10-20/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyLCHINJGFQGSYTL-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
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N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide
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N-(4-methyl-benzyl)-4-phenoxy-benzamide
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2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
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CID 4578038
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155518093
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 4354484

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (CID 130431472) is 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is LCHINJGFQGSYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-3-13-22(14-4-17)30(27,28)25-16-19-7-5-18(6-8-19)15-24-23(26)20-9-11-21(29-2)12-10-20/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 130431472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).