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

C20H26N2O5S — CID 4851407

IUPAC4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S/c1-2-26-18-6-3-4-7-19(18)27-15-5-8-20(23)22-14-13-16-9-11-17(12-10-16)28(21,24)25/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyWIZWEEFFIVZSQT-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.25
Rot. Bonds11

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

4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 4851407) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID4851407
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S/c1-2-26-18-6-3-4-7-19(18)27-15-5-8-20(23)22-14-13-16-9-11-17(12-10-16)28(21,24)25/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyWIZWEEFFIVZSQT-UHFFFAOYSA-N
XLogP2.25
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
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-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 4851407) is 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CCOc1ccccc1OCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is WIZWEEFFIVZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-2-26-18-6-3-4-7-19(18)27-15-5-8-20(23)22-14-13-16-9-11-17(12-10-16)28(21,24)25/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 406.50 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 4851407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).