2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C22H24N4O4S — CID 1183047

IUPAC2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-22(2,3)16-5-9-18(10-6-16)30-15-20(27)25-17-7-11-19(12-8-17)31(28,29)26-21-23-13-4-14-24-21/h4-14H,15H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyVBPPYNRRQKXVFW-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.59
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1183047) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1183047
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-22(2,3)16-5-9-18(10-6-16)30-15-20(27)25-17-7-11-19(12-8-17)31(28,29)26-21-23-13-4-14-24-21/h4-14H,15H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyVBPPYNRRQKXVFW-UHFFFAOYSA-N
XLogP3.59
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]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-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1183047) is 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is VBPPYNRRQKXVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-22(2,3)16-5-9-18(10-6-16)30-15-20(27)25-17-7-11-19(12-8-17)31(28,29)26-21-23-13-4-14-24-21/h4-14H,15H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1183047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).