4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide

C29H27NO4S — CID 55762787

IUPAC4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H27NO4S/c31-29(25-17-15-24(16-18-25)22-35(32,33)28-13-5-2-6-14-28)30-19-26-11-7-8-12-27(26)21-34-20-23-9-3-1-4-10-23/h1-18H,19-22H2,(H,30,31)
InChIKeySZVATRWCDWKZBI-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.31
Rot. Bonds10

About 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide

4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide (PubChem CID 55762787) has the molecular formula C29H27NO4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
PubChem CID55762787
Molecular FormulaC29H27NO4S
Molecular Weight485.61 g/mol
Exact Mass485.17
IUPAC Name4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H27NO4S/c31-29(25-17-15-24(16-18-25)22-35(32,33)28-13-5-2-6-14-28)30-19-26-11-7-8-12-27(26)21-34-20-23-9-3-1-4-10-23/h1-18H,19-22H2,(H,30,31)
InChIKeySZVATRWCDWKZBI-UHFFFAOYSA-N
XLogP5.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)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

Related Compounds

N-[[2-(phenylmethoxymethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55694556
methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
CID 55766169
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
4-(benzotriazol-1-ylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 46456905
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
(4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2960892
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide (CID 55762787) is 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1COCc1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide?
The InChIKey is SZVATRWCDWKZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4S/c31-29(25-17-15-24(16-18-25)22-35(32,33)28-13-5-2-6-14-28)30-19-26-11-7-8-12-27(26)21-34-20-23-9-3-1-4-10-23/h1-18H,19-22H2,(H,30,31).
What are the key properties of 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide?
4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide has a molecular weight of 485.61 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55762787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).