2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide

C15H23FN2O4S — CID 122146733

IUPAC2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)C(C)(C)F)cc1
InChIInChI=1S/C15H23FN2O4S/c1-15(2,16)14(19)18(4)12-6-8-13(9-7-12)23(20,21)17(3)10-11-22-5/h6-9H,10-11H2,1-5H3
InChIKeyDORASASOBNYTDN-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.66
Rot. Bonds7

About 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide

2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide (PubChem CID 122146733) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide
PubChem CID122146733
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)C(C)(C)F)cc1
InChIInChI=1S/C15H23FN2O4S/c1-15(2,16)14(19)18(4)12-6-8-13(9-7-12)23(20,21)17(3)10-11-22-5/h6-9H,10-11H2,1-5H3
InChIKeyDORASASOBNYTDN-UHFFFAOYSA-N
XLogP1.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide (CID 122146733) is 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide is COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)C(C)(C)F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide?
The InChIKey is DORASASOBNYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-15(2,16)14(19)18(4)12-6-8-13(9-7-12)23(20,21)17(3)10-11-22-5/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide?
2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide has a molecular weight of 346.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-methoxyethyl(methyl)sulfamoyl]phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 122146733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).