N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C21H20FN3O4S — CID 122303016

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1
InChIInChI=1S/C21H20FN3O4S/c1-14(2)30(27,28)17-9-7-15(8-10-17)11-20(26)25-16-12-23-21(24-13-16)29-19-6-4-3-5-18(19)22/h3-10,12-14H,11H2,1-2H3,(H,25,26)
InChIKeyYEBLOTFRFOKIKL-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 122303016) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID122303016
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1
InChIInChI=1S/C21H20FN3O4S/c1-14(2)30(27,28)17-9-7-15(8-10-17)11-20(26)25-16-12-23-21(24-13-16)29-19-6-4-3-5-18(19)22/h3-10,12-14H,11H2,1-2H3,(H,25,26)
InChIKeyYEBLOTFRFOKIKL-UHFFFAOYSA-N
XLogP3.77
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)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 N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 122303016) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is YEBLOTFRFOKIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-14(2)30(27,28)17-9-7-15(8-10-17)11-20(26)25-16-12-23-21(24-13-16)29-19-6-4-3-5-18(19)22/h3-10,12-14H,11H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 429.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 122303016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).