2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide

C22H20FNO5S — CID 12005488

IUPAC2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20FNO5S/c1-16-3-13-21(14-4-16)30(26,27)24(18-7-11-19(28-2)12-8-18)22(25)15-29-20-9-5-17(23)6-10-20/h3-14H,15H2,1-2H3
InChIKeyJZWNHFRNEPZCHU-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.94
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 12005488) has the molecular formula C22H20FNO5S and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID12005488
Molecular FormulaC22H20FNO5S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC Name2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20FNO5S/c1-16-3-13-21(14-4-16)30(26,27)24(18-7-11-19(28-2)12-8-18)22(25)15-29-20-9-5-17(23)6-10-20/h3-14H,15H2,1-2H3
InChIKeyJZWNHFRNEPZCHU-UHFFFAOYSA-N
XLogP3.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 12005488) is 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide is COc1ccc(N(C(=O)COc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is JZWNHFRNEPZCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5S/c1-16-3-13-21(14-4-16)30(26,27)24(18-7-11-19(28-2)12-8-18)22(25)15-29-20-9-5-17(23)6-10-20/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 429.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 12005488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).