N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide

C20H25FN2O4S — CID 78843000

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-18(27-19-10-8-7-9-17(19)21)20(24)22-15-11-13-16(14-12-15)28(25,26)23(5-2)6-3/h7-14,18H,4-6H2,1-3H3,(H,22,24)
InChIKeyJXUCHMRSRONLAB-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.65
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide

N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 78843000) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
PubChem CID78843000
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-18(27-19-10-8-7-9-17(19)21)20(24)22-15-11-13-16(14-12-15)28(25,26)23(5-2)6-3/h7-14,18H,4-6H2,1-3H3,(H,22,24)
InChIKeyJXUCHMRSRONLAB-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide
CID 4931944
2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224438
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide (CID 78843000) is N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is JXUCHMRSRONLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-4-18(27-19-10-8-7-9-17(19)21)20(24)22-15-11-13-16(14-12-15)28(25,26)23(5-2)6-3/h7-14,18H,4-6H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 408.50 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 78843000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).