2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide

C24H25FN2O5S — CID 155463782

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1
InChIInChI=1S/C24H25FN2O5S/c1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h4-12,15,28H,13-14H2,1-3H3,(H,27,29)
InChIKeyALUSOPIELVMHLZ-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.56
Rot. Bonds8

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide (PubChem CID 155463782) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide
PubChem CID155463782
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1
InChIInChI=1S/C24H25FN2O5S/c1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h4-12,15,28H,13-14H2,1-3H3,(H,27,29)
InChIKeyALUSOPIELVMHLZ-UHFFFAOYSA-N
XLogP3.56
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide (CID 155463782) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide?
The InChIKey is ALUSOPIELVMHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h4-12,15,28H,13-14H2,1-3H3,(H,27,29).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide has a molecular weight of 472.54 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 155463782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).