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

C15H16FNO4S — CID 5177073

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccco1
InChIInChI=1S/C15H16FNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-6,8H,7,9-11H2,(H,17,18)
InChIKeyGZKOGCHJWCUQMY-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.04
Rot. Bonds7

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

3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 5177073) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID5177073
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccco1
InChIInChI=1S/C15H16FNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-6,8H,7,9-11H2,(H,17,18)
InChIKeyGZKOGCHJWCUQMY-UHFFFAOYSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide (CID 5177073) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccco1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is GZKOGCHJWCUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c16-14-6-2-1-4-12(14)11-22(19,20)9-7-15(18)17-10-13-5-3-8-21-13/h1-6,8H,7,9-11H2,(H,17,18).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 325.36 g/mol, XLogP of 2.04, 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-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 5177073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).