2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

C20H25FN2O4S — CID 24784946

IUPAC2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-14(2)16-6-8-17(9-7-16)27-13-20(24)22-12-15-5-10-19(18(21)11-15)23-28(3,25)26/h5-11,14,23H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyQNQNJDJUVQEQKA-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.41
Rot. Bonds9

About 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (PubChem CID 24784946) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
PubChem CID24784946
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-14(2)16-6-8-17(9-7-16)27-13-20(24)22-12-15-5-10-19(18(21)11-15)23-28(3,25)26/h5-11,14,23H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyQNQNJDJUVQEQKA-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (CID 24784946) is 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is CCC(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The InChIKey is QNQNJDJUVQEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-4-14(2)16-6-8-17(9-7-16)27-13-20(24)22-12-15-5-10-19(18(21)11-15)23-28(3,25)26/h5-11,14,23H,4,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is sourced from PubChem (CID 24784946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).