2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide

C15H21FN2O4S — CID 126815373

IUPAC2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1
InChIInChI=1S/C15H21FN2O4S/c1-10(11-3-4-11)15(19)18(2)7-8-22-14-6-5-12(9-13(14)16)23(17,20)21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,17,20,21)
InChIKeyVBPWNVMWHMAGBV-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.36
Rot. Bonds7

About 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide

2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide (PubChem CID 126815373) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide
PubChem CID126815373
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1
InChIInChI=1S/C15H21FN2O4S/c1-10(11-3-4-11)15(19)18(2)7-8-22-14-6-5-12(9-13(14)16)23(17,20)21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,17,20,21)
InChIKeyVBPWNVMWHMAGBV-UHFFFAOYSA-N
XLogP1.36
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
3-fluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82921786
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
tert-butyl 16-(2-fluoro-4-sulfamoylphenoxy)hexadecanoate
CID 170650743

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide (CID 126815373) is 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide is CC(C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide?
The InChIKey is VBPWNVMWHMAGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-10(11-3-4-11)15(19)18(2)7-8-22-14-6-5-12(9-13(14)16)23(17,20)21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,17,20,21).
What are the key properties of 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide?
2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide has a molecular weight of 344.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 126815373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).