N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide

C22H21NO4S — CID 19217816

IUPACN-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
SMILESCc1cccc(C)c1OCC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21NO4S/c1-17-10-9-11-18(2)22(17)27-16-21(24)23(19-12-5-3-6-13-19)28(25,26)20-14-7-4-8-15-20/h3-15H,16H2,1-2H3
InChIKeyGPAHZRJKDZMBDY-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.10
Rot. Bonds6

About N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide

N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide (PubChem CID 19217816) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
PubChem CID19217816
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
SMILESCc1cccc(C)c1OCC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21NO4S/c1-17-10-9-11-18(2)22(17)27-16-21(24)23(19-12-5-3-6-13-19)28(25,26)20-14-7-4-8-15-20/h3-15H,16H2,1-2H3
InChIKeyGPAHZRJKDZMBDY-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-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide (CID 19217816) is N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide is Cc1cccc(C)c1OCC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide?
The InChIKey is GPAHZRJKDZMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-17-10-9-11-18(2)22(17)27-16-21(24)23(19-12-5-3-6-13-19)28(25,26)20-14-7-4-8-15-20/h3-15H,16H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide?
N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide 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-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 19217816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).