4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide

C20H24N2O5S — CID 4235150

IUPAC4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15(23)16-9-11-18(12-10-16)27-13-5-8-20(24)21-17-6-4-7-19(14-17)28(25,26)22(2)3/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,21,24)
InChIKeyQLXFJVAUCSTLMM-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.94
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide

4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide (PubChem CID 4235150) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide
PubChem CID4235150
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15(23)16-9-11-18(12-10-16)27-13-5-8-20(24)21-17-6-4-7-19(14-17)28(25,26)22(2)3/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,21,24)
InChIKeyQLXFJVAUCSTLMM-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide (CID 4235150) is 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The InChIKey is QLXFJVAUCSTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15(23)16-9-11-18(12-10-16)27-13-5-8-20(24)21-17-6-4-7-19(14-17)28(25,26)22(2)3/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,21,24).
What are the key properties of 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide has a molecular weight of 404.49 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 4235150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).