2-benzylsulfanyl-N-(4-fluorophenyl)propanamide

C16H16FNOS — CID 2899728

IUPAC2-benzylsulfanyl-N-(4-fluorophenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c1-12(20-11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyAJLJNNSPZDHEPW-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.09
Rot. Bonds5

About 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide

2-benzylsulfanyl-N-(4-fluorophenyl)propanamide (PubChem CID 2899728) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-fluorophenyl)propanamide
PubChem CID2899728
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-benzylsulfanyl-N-(4-fluorophenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c1-12(20-11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyAJLJNNSPZDHEPW-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide (CID 2899728) is 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide is CC(SCc1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide?
The InChIKey is AJLJNNSPZDHEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12(20-11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide?
2-benzylsulfanyl-N-(4-fluorophenyl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 2899728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).