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

C23H24N2O4S — CID 4108076

IUPACN-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-18-8-10-20(11-9-18)23(26)24-15-19-4-3-5-21(14-19)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyFPFHEGSQUROZEX-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.41
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 4108076) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
PubChem CID4108076
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-18-8-10-20(11-9-18)23(26)24-15-19-4-3-5-21(14-19)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyFPFHEGSQUROZEX-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide (CID 4108076) is N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide is COc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is FPFHEGSQUROZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-18-8-10-20(11-9-18)23(26)24-15-19-4-3-5-21(14-19)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]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 N-[(3-methoxyphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 4108076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).