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

C23H24N2O4S — CID 130431463

IUPAC2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-7-13-20(14-8-17)30(27,28)25-16-19-11-9-18(10-12-19)15-24-23(26)21-5-3-4-6-22(21)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyISWSMZLUPZJOBO-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.41
Rot. Bonds8

About 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (PubChem CID 130431463) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
PubChem CID130431463
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-7-13-20(14-8-17)30(27,28)25-16-19-11-9-18(10-12-19)15-24-23(26)21-5-3-4-6-22(21)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyISWSMZLUPZJOBO-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

Analyze 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (CID 130431463) is 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is ISWSMZLUPZJOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-7-13-20(14-8-17)30(27,28)25-16-19-11-9-18(10-12-19)15-24-23(26)21-5-3-4-6-22(21)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
2-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 2-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 130431463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).