N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide

C16H16FNOS — CID 7254918

IUPACN-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C16H16FNOS/c17-14-6-8-15(9-7-14)20-11-10-16(19)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeySZAHFRVPBXJBJQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide

N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7254918) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7254918
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C16H16FNOS/c17-14-6-8-15(9-7-14)20-11-10-16(19)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeySZAHFRVPBXJBJQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide (CID 7254918) is N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is SZAHFRVPBXJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-14-6-8-15(9-7-14)20-11-10-16(19)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7254918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).