N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide

C16H17NO4S — CID 7959595

IUPACN-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO4S/c1-21-13-9-7-12(8-10-13)11-17-16(18)14-5-3-4-6-15(14)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeySTEKAGDWSOJOJV-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.03
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide

N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide (PubChem CID 7959595) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
PubChem CID7959595
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO4S/c1-21-13-9-7-12(8-10-13)11-17-16(18)14-5-3-4-6-15(14)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeySTEKAGDWSOJOJV-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide
CID 20967557
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976561
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide (CID 7959595) is N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide is COc1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
The InChIKey is STEKAGDWSOJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-13-9-7-12(8-10-13)11-17-16(18)14-5-3-4-6-15(14)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide has a molecular weight of 319.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 7959595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).