2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide

C26H30N2O3S — CID 71622670

IUPAC2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
SMILESCC(C)CN(Cc1ccc(-c2cccc(CC(N)=O)c2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-22-7-4-3-5-8-22)18-21-11-13-24(14-12-21)25-10-6-9-23(15-25)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29)
InChIKeyIJIAVFTWJAFUFD-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.37
Rot. Bonds10

About 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide

2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide (PubChem CID 71622670) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
PubChem CID71622670
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
SMILESCC(C)CN(Cc1ccc(-c2cccc(CC(N)=O)c2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-22-7-4-3-5-8-22)18-21-11-13-24(14-12-21)25-10-6-9-23(15-25)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29)
InChIKeyIJIAVFTWJAFUFD-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
The IUPAC name of 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide (CID 71622670) is 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
The canonical SMILES for 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide is CC(C)CN(Cc1ccc(-c2cccc(CC(N)=O)c2)cc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
The InChIKey is IJIAVFTWJAFUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-22-7-4-3-5-8-22)18-21-11-13-24(14-12-21)25-10-6-9-23(15-25)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29).
What are the key properties of 2-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide?
2-[3-[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-[3-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 71622670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).