2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide

C22H21NO5S — CID 19217917

IUPAC2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
SMILESCOc1ccccc1OCC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO5S/c1-17-12-14-19(15-13-17)29(25,26)23(18-8-4-3-5-9-18)22(24)16-28-21-11-7-6-10-20(21)27-2/h3-15H,16H2,1-2H3
InChIKeyHWMRMFXRPRTXHY-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.80
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide

2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide (PubChem CID 19217917) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
PubChem CID19217917
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Name2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
SMILESCOc1ccccc1OCC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO5S/c1-17-12-14-19(15-13-17)29(25,26)23(18-8-4-3-5-9-18)22(24)16-28-21-11-7-6-10-20(21)27-2/h3-15H,16H2,1-2H3
InChIKeyHWMRMFXRPRTXHY-UHFFFAOYSA-N
XLogP3.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
CID 19217816
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide (CID 19217917) is 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide is COc1ccccc1OCC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
The InChIKey is HWMRMFXRPRTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-17-12-14-19(15-13-17)29(25,26)23(18-8-4-3-5-9-18)22(24)16-28-21-11-7-6-10-20(21)27-2/h3-15H,16H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide has a molecular weight of 411.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide is sourced from PubChem (CID 19217917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).