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

C16H17NO4S — CID 18081414

IUPACN-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H17NO4S/c1-21-14-9-5-3-7-12(14)11-17-16(18)13-8-4-6-10-15(13)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyUMAODNMPNGVKKK-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.03
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide (PubChem CID 18081414) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
PubChem CID18081414
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H17NO4S/c1-21-14-9-5-3-7-12(14)11-17-16(18)13-8-4-6-10-15(13)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyUMAODNMPNGVKKK-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
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylsulfonylbenzamide
CID 31311834
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide (CID 18081414) is N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide is COc1ccccc1CNC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
The InChIKey is UMAODNMPNGVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-14-9-5-3-7-12(14)11-17-16(18)13-8-4-6-10-15(13)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide?
N-[(2-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-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 18081414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).