3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide

C19H16FNOS — CID 7254920

IUPAC3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H16FNOS/c20-15-8-10-16(11-9-15)23-13-12-19(22)21-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,21,22)
InChIKeyMHAFPZSRWMTZOT-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.10
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide

3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide (PubChem CID 7254920) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
PubChem CID7254920
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H16FNOS/c20-15-8-10-16(11-9-15)23-13-12-19(22)21-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,21,22)
InChIKeyMHAFPZSRWMTZOT-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide (CID 7254920) is 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide is O=C(CCSc1ccc(F)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
The InChIKey is MHAFPZSRWMTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c20-15-8-10-16(11-9-15)23-13-12-19(22)21-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 7254920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).