N-(2-fluorophenyl)-3-phenylsulfanylpropanamide

C15H14FNOS — CID 881489

IUPACN-(2-fluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H14FNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyLJPFAMUUMJFALV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.95
Rot. Bonds5

About N-(2-fluorophenyl)-3-phenylsulfanylpropanamide

N-(2-fluorophenyl)-3-phenylsulfanylpropanamide (PubChem CID 881489) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-phenylsulfanylpropanamide
PubChem CID881489
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(2-fluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H14FNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyLJPFAMUUMJFALV-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-phenylsulfanylpropanamide (CID 881489) is N-(2-fluorophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is LJPFAMUUMJFALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-(2-fluorophenyl)-3-phenylsulfanylpropanamide?
N-(2-fluorophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 881489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).