3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide

C15H23FN2O4S — CID 110610179

IUPAC3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
SMILESCOCCCCNC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H23FN2O4S/c1-12(15(19)17-8-3-4-9-22-2)11-23(20,21)18-14-7-5-6-13(16)10-14/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyFULYJNRADJOOAN-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.75
Rot. Bonds10

About 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide

3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide (PubChem CID 110610179) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
PubChem CID110610179
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
SMILESCOCCCCNC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H23FN2O4S/c1-12(15(19)17-8-3-4-9-22-2)11-23(20,21)18-14-7-5-6-13(16)10-14/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyFULYJNRADJOOAN-UHFFFAOYSA-N
XLogP1.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.75
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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Related Compounds

3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110420926
N-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110426759
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110634102
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 110674439

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide (CID 110610179) is 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide is COCCCCNC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide?
The InChIKey is FULYJNRADJOOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-12(15(19)17-8-3-4-9-22-2)11-23(20,21)18-14-7-5-6-13(16)10-14/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide?
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide has a molecular weight of 346.42 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide is sourced from PubChem (CID 110610179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).