2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

C20H24FNO4S — CID 55818720

IUPAC2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO4S/c1-14(2)26-13-17-7-5-4-6-16(17)12-22-20(23)15(3)27(24,25)19-10-8-18(21)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyMWCHUOJMXGZXPD-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.23
Rot. Bonds8

About 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 55818720) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID55818720
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO4S/c1-14(2)26-13-17-7-5-4-6-16(17)12-22-20(23)15(3)27(24,25)19-10-8-18(21)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyMWCHUOJMXGZXPD-UHFFFAOYSA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 55818720) is 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is CC(C)OCc1ccccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is MWCHUOJMXGZXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-14(2)26-13-17-7-5-4-6-16(17)12-22-20(23)15(3)27(24,25)19-10-8-18(21)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 393.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55818720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).