2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide

C12H17FN2O4S — CID 82914408

IUPAC2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C12H17FN2O4S/c1-3-6-15-12(16)8(2)19-10-5-4-9(13)7-11(10)20(14,17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyUOQDJAAKCJNZAH-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.77
Rot. Bonds6

About 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide

2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide (PubChem CID 82914408) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide
PubChem CID82914408
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C12H17FN2O4S/c1-3-6-15-12(16)8(2)19-10-5-4-9(13)7-11(10)20(14,17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyUOQDJAAKCJNZAH-UHFFFAOYSA-N
XLogP0.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
N-sec-Butyl-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-benzenesulfonamide
CID 2949509
4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide
CID 3156718
4-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 3156765
N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082973
2-(4-Propylsulfamoyl-phenoxy)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 2955531
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3153449

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide?
The IUPAC name of 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide (CID 82914408) is 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide?
The InChIKey is UOQDJAAKCJNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-3-6-15-12(16)8(2)19-10-5-4-9(13)7-11(10)20(14,17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide?
2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide has a molecular weight of 304.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-sulfamoylphenoxy)-N-propylpropanamide is sourced from PubChem (CID 82914408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).