2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C22H23N3O4S — CID 3151771

IUPAC2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H23N3O4S/c1-16(2)17-6-5-7-19(14-17)29-15-22(26)24-18-9-11-20(12-10-18)30(27,28)25-21-8-3-4-13-23-21/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRWYDHRZWMMQRHT-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.02
Rot. Bonds8

About 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 3151771) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID3151771
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H23N3O4S/c1-16(2)17-6-5-7-19(14-17)29-15-22(26)24-18-9-11-20(12-10-18)30(27,28)25-21-8-3-4-13-23-21/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRWYDHRZWMMQRHT-UHFFFAOYSA-N
XLogP4.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 3151771) is 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is CC(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is RWYDHRZWMMQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16(2)17-6-5-7-19(14-17)29-15-22(26)24-18-9-11-20(12-10-18)30(27,28)25-21-8-3-4-13-23-21/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3151771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).