2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide

C24H27FN2O4S — CID 164820749

IUPAC2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C24H27FN2O4S/c1-15(2)20-10-18(25)11-21(16(3)4)22(20)13-24(28)27-32(29,30)14-19-12-23(26-31-19)17-8-6-5-7-9-17/h5-12,15-16H,13-14H2,1-4H3,(H,27,28)
InChIKeyAZTHDNXLPKQCDY-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.92
Rot. Bonds8

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide (PubChem CID 164820749) has the molecular formula C24H27FN2O4S and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
PubChem CID164820749
Molecular FormulaC24H27FN2O4S
Molecular Weight458.56 g/mol
Exact Mass458.17
IUPAC Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C24H27FN2O4S/c1-15(2)20-10-18(25)11-21(16(3)4)22(20)13-24(28)27-32(29,30)14-19-12-23(26-31-19)17-8-6-5-7-9-17/h5-12,15-16H,13-14H2,1-4H3,(H,27,28)
InChIKeyAZTHDNXLPKQCDY-UHFFFAOYSA-N
XLogP4.92
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide 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-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide (CID 164820749) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
The InChIKey is AZTHDNXLPKQCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4S/c1-15(2)20-10-18(25)11-21(16(3)4)22(20)13-24(28)27-32(29,30)14-19-12-23(26-31-19)17-8-6-5-7-9-17/h5-12,15-16H,13-14H2,1-4H3,(H,27,28).
What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide has a molecular weight of 458.56 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 164820749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).