N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide

C22H22N2O4S — CID 130431447

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-21-10-6-5-9-20(21)22(25)23-15-17-11-13-18(14-12-17)16-24-29(26,27)19-7-3-2-4-8-19/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyQJPZVLHPGDWIIS-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.10
Rot. Bonds8

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide (PubChem CID 130431447) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide
PubChem CID130431447
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-21-10-6-5-9-20(21)22(25)23-15-17-11-13-18(14-12-17)16-24-29(26,27)19-7-3-2-4-8-19/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyQJPZVLHPGDWIIS-UHFFFAOYSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide 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 N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide (CID 130431447) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is QJPZVLHPGDWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-28-21-10-6-5-9-20(21)22(25)23-15-17-11-13-18(14-12-17)16-24-29(26,27)19-7-3-2-4-8-19/h2-14,24H,15-16H2,1H3,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 410.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 130431447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).