4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide

C19H23FN2O4S — CID 46597927

IUPAC4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-14(2)22-27(24,25)18-10-4-15(5-11-18)19(23)21-12-13-26-17-8-6-16(20)7-9-17/h4-11,14,22H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVXUAYOQXHBJMCT-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.71
Rot. Bonds9

About 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide (PubChem CID 46597927) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
PubChem CID46597927
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-14(2)22-27(24,25)18-10-4-15(5-11-18)19(23)21-12-13-26-17-8-6-16(20)7-9-17/h4-11,14,22H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVXUAYOQXHBJMCT-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.71
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

4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
4-[[1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 71848474

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide (CID 46597927) is 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide?
The InChIKey is VXUAYOQXHBJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-3-14(2)22-27(24,25)18-10-4-15(5-11-18)19(23)21-12-13-26-17-8-6-16(20)7-9-17/h4-11,14,22H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 46597927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).