3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide

C21H27FN2O5S — CID 42572108

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN2O5S/c1-2-28-18-9-11-20(12-10-18)30(26,27)24-15-13-21(25)23-14-3-4-16-29-19-7-5-17(22)6-8-19/h5-12,24H,2-4,13-16H2,1H3,(H,23,25)
InChIKeyAJEZNHRWWOIQLY-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.87
Rot. Bonds13

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide (PubChem CID 42572108) has the molecular formula C21H27FN2O5S and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide
PubChem CID42572108
Molecular FormulaC21H27FN2O5S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN2O5S/c1-2-28-18-9-11-20(12-10-18)30(26,27)24-15-13-21(25)23-14-3-4-16-29-19-7-5-17(22)6-8-19/h5-12,24H,2-4,13-16H2,1H3,(H,23,25)
InChIKeyAJEZNHRWWOIQLY-UHFFFAOYSA-N
XLogP2.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.87
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 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide (CID 42572108) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide?
The InChIKey is AJEZNHRWWOIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O5S/c1-2-28-18-9-11-20(12-10-18)30(26,27)24-15-13-21(25)23-14-3-4-16-29-19-7-5-17(22)6-8-19/h5-12,24H,2-4,13-16H2,1H3,(H,23,25).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide has a molecular weight of 438.52 g/mol, XLogP of 2.87, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]propanamide is sourced from PubChem (CID 42572108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).