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

C22H22N2O4S — CID 130431450

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-20-13-11-19(12-14-20)22(25)23-15-17-7-9-18(10-8-17)16-24-29(26,27)21-5-3-2-4-6-21/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyKFKVAIIEOPLDCJ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.10
Rot. Bonds8

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

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 130431450) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide
PubChem CID130431450
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-20-13-11-19(12-14-20)22(25)23-15-17-7-9-18(10-8-17)16-24-29(26,27)21-5-3-2-4-6-21/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyKFKVAIIEOPLDCJ-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]-4-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]-4-methoxybenzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide (CID 130431450) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is KFKVAIIEOPLDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-28-20-13-11-19(12-14-20)22(25)23-15-17-7-9-18(10-8-17)16-24-29(26,27)21-5-3-2-4-6-21/h2-14,24H,15-16H2,1H3,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methoxybenzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 130431450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).