N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide

C15H20FNO5S — CID 56803524

IUPACN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C15H20FNO5S/c1-23(19,20)8-6-15(18)17-13-9-11(16)4-5-14(13)22-10-12-3-2-7-21-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18)
InChIKeyFDDBZZZLOCASOU-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.76
Rot. Bonds7

About N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide

N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide (PubChem CID 56803524) has the molecular formula C15H20FNO5S and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide
PubChem CID56803524
Molecular FormulaC15H20FNO5S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C15H20FNO5S/c1-23(19,20)8-6-15(18)17-13-9-11(16)4-5-14(13)22-10-12-3-2-7-21-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18)
InChIKeyFDDBZZZLOCASOU-UHFFFAOYSA-N
XLogP1.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide (CID 56803524) is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)Nc1cc(F)ccc1OCC1CCCO1.
What is the InChIKey of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide?
The InChIKey is FDDBZZZLOCASOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO5S/c1-23(19,20)8-6-15(18)17-13-9-11(16)4-5-14(13)22-10-12-3-2-7-21-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18).
What are the key properties of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide?
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide has a molecular weight of 345.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 56803524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).