2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide

C24H27FN2O6S — CID 155464168

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1
InChIInChI=1S/C24H27FN2O6S/c1-14(2)18-10-17(25)11-19(15-6-7-26-22(8-15)32-5)20(18)12-21(28)27-34(30,31)23-9-16(13-33-23)24(3,4)29/h6-11,13-14,29H,12H2,1-5H3,(H,27,28)
InChIKeyLNYMDCGLWDMGCN-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.89
Rot. Bonds8

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide (PubChem CID 155464168) has the molecular formula C24H27FN2O6S and a molecular weight of 490.55 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide
PubChem CID155464168
Molecular FormulaC24H27FN2O6S
Molecular Weight490.55 g/mol
Exact Mass490.16
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1
InChIInChI=1S/C24H27FN2O6S/c1-14(2)18-10-17(25)11-19(15-6-7-26-22(8-15)32-5)20(18)12-21(28)27-34(30,31)23-9-16(13-33-23)24(3,4)29/h6-11,13-14,29H,12H2,1-5H3,(H,27,28)
InChIKeyLNYMDCGLWDMGCN-UHFFFAOYSA-N
XLogP3.89
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide (CID 155464168) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
The InChIKey is LNYMDCGLWDMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O6S/c1-14(2)18-10-17(25)11-19(15-6-7-26-22(8-15)32-5)20(18)12-21(28)27-34(30,31)23-9-16(13-33-23)24(3,4)29/h6-11,13-14,29H,12H2,1-5H3,(H,27,28).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide has a molecular weight of 490.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide is sourced from PubChem (CID 155464168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).