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

C26H29FN2O4S — CID 150743245

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C26H29FN2O4S/c1-16(2)18-6-8-21(9-7-18)34(31,32)29-25(30)15-24-22(17(3)4)13-20(27)14-23(24)19-10-11-28-26(12-19)33-5/h6-14,16-17H,15H2,1-5H3,(H,29,30)
InChIKeyJUHMDBJMEBCUAL-UHFFFAOYSA-N
MW484.59 g/mol
LogP5.19
Rot. Bonds8

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

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide (PubChem CID 150743245) has the molecular formula C26H29FN2O4S and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide
PubChem CID150743245
Molecular FormulaC26H29FN2O4S
Molecular Weight484.59 g/mol
Exact Mass484.18
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C26H29FN2O4S/c1-16(2)18-6-8-21(9-7-18)34(31,32)29-25(30)15-24-22(17(3)4)13-20(27)14-23(24)19-10-11-28-26(12-19)33-5/h6-14,16-17H,15H2,1-5H3,(H,29,30)
InChIKeyJUHMDBJMEBCUAL-UHFFFAOYSA-N
XLogP5.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)sulfonylacetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide (CID 150743245) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide?
The InChIKey is JUHMDBJMEBCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4S/c1-16(2)18-6-8-21(9-7-18)34(31,32)29-25(30)15-24-22(17(3)4)13-20(27)14-23(24)19-10-11-28-26(12-19)33-5/h6-14,16-17H,15H2,1-5H3,(H,29,30).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide has a molecular weight of 484.59 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-propan-2-ylphenyl)sulfonylacetamide is sourced from PubChem (CID 150743245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).