2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide

C18H21FN2O4S — CID 58757001

IUPAC2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c19-16-7-3-15(4-8-16)12-25-13-18(22)21-11-1-2-14-5-9-17(10-6-14)26(20,23)24/h3-10H,1-2,11-13H2,(H,21,22)(H2,20,23,24)
InChIKeyCOWOTZUQQZFGCO-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.74
Rot. Bonds9

About 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide (PubChem CID 58757001) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide
PubChem CID58757001
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c19-16-7-3-15(4-8-16)12-25-13-18(22)21-11-1-2-14-5-9-17(10-6-14)26(20,23)24/h3-10H,1-2,11-13H2,(H,21,22)(H2,20,23,24)
InChIKeyCOWOTZUQQZFGCO-UHFFFAOYSA-N
XLogP1.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.74
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 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide (CID 58757001) is 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide is NS(=O)(=O)c1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide?
The InChIKey is COWOTZUQQZFGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c19-16-7-3-15(4-8-16)12-25-13-18(22)21-11-1-2-14-5-9-17(10-6-14)26(20,23)24/h3-10H,1-2,11-13H2,(H,21,22)(H2,20,23,24).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[3-(4-sulfamoylphenyl)propyl]acetamide is sourced from PubChem (CID 58757001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).