3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide

C15H20FNO4S — CID 4524432

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCC1CCCO1
InChIInChI=1S/C15H20FNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-2,4,6,13H,3,5,7-11H2,(H,17,18)
InChIKeyOVYUPCXJEWBEDW-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.43
Rot. Bonds7

About 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 4524432) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID4524432
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCC1CCCO1
InChIInChI=1S/C15H20FNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-2,4,6,13H,3,5,7-11H2,(H,17,18)
InChIKeyOVYUPCXJEWBEDW-UHFFFAOYSA-N
XLogP1.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide (CID 4524432) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCC1CCCO1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is OVYUPCXJEWBEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-2,4,6,13H,3,5,7-11H2,(H,17,18).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 329.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 4524432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).