N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide

C17H20N2O4S — CID 951576

IUPACN-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-19(24(3,21)22)15-10-8-13(9-11-15)17(20)18-12-14-6-4-5-7-16(14)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWQAUUALCKXGKHT-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.02
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 951576) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID951576
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-19(24(3,21)22)15-10-8-13(9-11-15)17(20)18-12-14-6-4-5-7-16(14)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWQAUUALCKXGKHT-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280039
4-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2364863
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 951576) is N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide is COc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is WQAUUALCKXGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(24(3,21)22)15-10-8-13(9-11-15)17(20)18-12-14-6-4-5-7-16(14)23-2/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 951576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).