3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide

C16H17FN2OS — CID 75385361

IUPAC3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide
SMILESNC(=O)CCSc1ccccc1NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c17-13-7-5-12(6-8-13)11-19-14-3-1-2-4-15(14)21-10-9-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeyCCYFZYDLJKAFTL-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.41
Rot. Bonds7

About 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide

3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide (PubChem CID 75385361) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide
PubChem CID75385361
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide
SMILESNC(=O)CCSc1ccccc1NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c17-13-7-5-12(6-8-13)11-19-14-3-1-2-4-15(14)21-10-9-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeyCCYFZYDLJKAFTL-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide (CID 75385361) is 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide is NC(=O)CCSc1ccccc1NCc1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide?
The InChIKey is CCYFZYDLJKAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-13-7-5-12(6-8-13)11-19-14-3-1-2-4-15(14)21-10-9-16(18)20/h1-8,19H,9-11H2,(H2,18,20).
What are the key properties of 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide?
3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methylamino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 75385361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).