3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide

C20H25FN2O4S — CID 26766015

IUPAC3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCOc2ccccc2F)c1
InChIInChI=1S/C20H25FN2O4S/c1-3-23(4-2)28(25,26)17-10-7-9-16(15-17)20(24)22-13-8-14-27-19-12-6-5-11-18(19)21/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24)
InChIKeyIGLFJUNULXKEBK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.06
Rot. Bonds10

About 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide

3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide (PubChem CID 26766015) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
PubChem CID26766015
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCOc2ccccc2F)c1
InChIInChI=1S/C20H25FN2O4S/c1-3-23(4-2)28(25,26)17-10-7-9-16(15-17)20(24)22-13-8-14-27-19-12-6-5-11-18(19)21/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24)
InChIKeyIGLFJUNULXKEBK-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 38460261
N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 52703859
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide (CID 26766015) is 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCOc2ccccc2F)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The InChIKey is IGLFJUNULXKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-3-23(4-2)28(25,26)17-10-7-9-16(15-17)20(24)22-13-8-14-27-19-12-6-5-11-18(19)21/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide is sourced from PubChem (CID 26766015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).