N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide

C22H21NO4S — CID 19212618

IUPACN-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
SMILESCc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO4S/c1-17-8-12-19(13-9-17)23(22(24)16-27-20-6-4-3-5-7-20)28(25,26)21-14-10-18(2)11-15-21/h3-15H,16H2,1-2H3
InChIKeyOKGPSWLIHGXWJO-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.10
Rot. Bonds6

About N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide

N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide (PubChem CID 19212618) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
PubChem CID19212618
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
SMILESCc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO4S/c1-17-8-12-19(13-9-17)23(22(24)16-27-20-6-4-3-5-7-20)28(25,26)21-14-10-18(2)11-15-21/h3-15H,16H2,1-2H3
InChIKeyOKGPSWLIHGXWJO-UHFFFAOYSA-N
XLogP4.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
The IUPAC name of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide (CID 19212618) is N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
The canonical SMILES for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide is Cc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
The InChIKey is OKGPSWLIHGXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-17-8-12-19(13-9-17)23(22(24)16-27-20-6-4-3-5-7-20)28(25,26)21-14-10-18(2)11-15-21/h3-15H,16H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide has a molecular weight of 395.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide is sourced from PubChem (CID 19212618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).