N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide

C20H25FN2O5S — CID 43000311

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H25FN2O5S/c1-5-23(6-2)29(25,26)17-11-12-19(27-4)18(13-17)22-20(24)14(3)28-16-9-7-15(21)8-10-16/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyPUCUZLCQMLBWKL-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.27
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 43000311) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
PubChem CID43000311
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H25FN2O5S/c1-5-23(6-2)29(25,26)17-11-12-19(27-4)18(13-17)22-20(24)14(3)28-16-9-7-15(21)8-10-16/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyPUCUZLCQMLBWKL-UHFFFAOYSA-N
XLogP3.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)propanamide
CID 53266077
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266684
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2969227
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
CID 43077587
(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711
(2R)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838712
4-chloro-N,N-diethyl-3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]benzenesulfonamide
CID 43004132
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide (CID 43000311) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc(F)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is PUCUZLCQMLBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-5-23(6-2)29(25,26)17-11-12-19(27-4)18(13-17)22-20(24)14(3)28-16-9-7-15(21)8-10-16/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 424.49 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 43000311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).