N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide

C22H21NO4S — CID 27669702

IUPACN-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C22H21NO4S/c1-16-10-12-19(13-11-16)27-21-9-4-3-8-20(21)23-22(24)18-7-5-6-17(14-18)15-28(2,25)26/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeySMJQFPXZKNOZSQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.58
Rot. Bonds6

About N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 27669702) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID27669702
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C22H21NO4S/c1-16-10-12-19(13-11-16)27-21-9-4-3-8-20(21)23-22(24)18-7-5-6-17(14-18)15-28(2,25)26/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeySMJQFPXZKNOZSQ-UHFFFAOYSA-N
XLogP4.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenoxyphenyl)benzamide
CID 38099477

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide (CID 27669702) is N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide is Cc1ccc(Oc2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is SMJQFPXZKNOZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-16-10-12-19(13-11-16)27-21-9-4-3-8-20(21)23-22(24)18-7-5-6-17(14-18)15-28(2,25)26/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).