N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

C17H20N2O3S — CID 893386

IUPACN-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-6-4-5-7-15(13)12-19(23(3,21)22)16-10-8-14(9-11-16)17(20)18-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyIBXXQFLGPOPLAB-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 893386) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID893386
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-6-4-5-7-15(13)12-19(23(3,21)22)16-10-8-14(9-11-16)17(20)18-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyIBXXQFLGPOPLAB-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 893386) is N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is CNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is IBXXQFLGPOPLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-6-4-5-7-15(13)12-19(23(3,21)22)16-10-8-14(9-11-16)17(20)18-2/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 893386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).