N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide

C20H25FN2O4S2 — CID 43077587

IUPACN-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(NC(=O)C(C)SC)c1
InChIInChI=1S/C20H25FN2O4S2/c1-5-23(6-2)29(25,26)17-11-12-19(27-16-9-7-15(21)8-10-16)18(13-17)22-20(24)14(3)28-4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyIQAUOJTXGLVPPK-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.34
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide

N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide (PubChem CID 43077587) has the molecular formula C20H25FN2O4S2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
PubChem CID43077587
Molecular FormulaC20H25FN2O4S2
Molecular Weight440.56 g/mol
Exact Mass440.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(NC(=O)C(C)SC)c1
InChIInChI=1S/C20H25FN2O4S2/c1-5-23(6-2)29(25,26)17-11-12-19(27-16-9-7-15(21)8-10-16)18(13-17)22-20(24)14(3)28-4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyIQAUOJTXGLVPPK-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
CID 43000311
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
CID 52866213
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)propanamide
CID 53266077
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 42996302
N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 41297263
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide (CID 43077587) is N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(NC(=O)C(C)SC)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide?
The InChIKey is IQAUOJTXGLVPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S2/c1-5-23(6-2)29(25,26)17-11-12-19(27-16-9-7-15(21)8-10-16)18(13-17)22-20(24)14(3)28-4/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide?
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide has a molecular weight of 440.56 g/mol, XLogP of 4.34, 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-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 43077587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).