N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide

C23H23NO4S — CID 19212677

IUPACN-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-3-19-11-13-20(14-12-19)24(29(26,27)22-7-5-4-6-8-22)23(25)17-28-21-15-9-18(2)10-16-21/h4-16H,3,17H2,1-2H3
InChIKeyCHALYHSSSZZQBV-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.36
Rot. Bonds7

About N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide

N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 19212677) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID19212677
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-3-19-11-13-20(14-12-19)24(29(26,27)22-7-5-4-6-8-22)23(25)17-28-21-15-9-18(2)10-16-21/h4-16H,3,17H2,1-2H3
InChIKeyCHALYHSSSZZQBV-UHFFFAOYSA-N
XLogP4.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.36
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-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 19217380
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-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218327
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide
CID 19219400
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide (CID 19212677) is N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide is CCc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is CHALYHSSSZZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-3-19-11-13-20(14-12-19)24(29(26,27)22-7-5-4-6-8-22)23(25)17-28-21-15-9-18(2)10-16-21/h4-16H,3,17H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide?
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 409.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 19212677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).