2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide

C26H30N2O3S — CID 90656079

IUPAC2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-23-6-4-3-5-7-23)18-22-10-14-25(15-11-22)24-12-8-21(9-13-24)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29)
InChIKeyRYOODXLRWUTRMB-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.37
Rot. Bonds10

About 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide

2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide (PubChem CID 90656079) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
PubChem CID90656079
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-23-6-4-3-5-7-23)18-22-10-14-25(15-11-22)24-12-8-21(9-13-24)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29)
InChIKeyRYOODXLRWUTRMB-UHFFFAOYSA-N
XLogP4.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide 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-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide (CID 90656079) is 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide is CC(C)CN(Cc1ccc(-c2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
The InChIKey is RYOODXLRWUTRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-23-6-4-3-5-7-23)18-22-10-14-25(15-11-22)24-12-8-21(9-13-24)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29).
What are the key properties of 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide has a molecular weight of 450.60 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 90656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).