4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C18H22N2O4S — CID 2287873

IUPAC4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c19-25(22,23)17-10-8-15(9-11-17)12-13-20-18(21)7-4-14-24-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21)(H2,19,22,23)
InChIKeyQJEIFGRXUVWDGL-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.85
Rot. Bonds9

About 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 2287873) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID2287873
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c19-25(22,23)17-10-8-15(9-11-17)12-13-20-18(21)7-4-14-24-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21)(H2,19,22,23)
InChIKeyQJEIFGRXUVWDGL-UHFFFAOYSA-N
XLogP1.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 2287873) is 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is QJEIFGRXUVWDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c19-25(22,23)17-10-8-15(9-11-17)12-13-20-18(21)7-4-14-24-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21)(H2,19,22,23).
What are the key properties of 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 362.45 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 2287873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).