N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide

C15H13F2NOS — CID 806247

IUPACN-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NOS/c16-11-6-7-14(13(17)10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMQNDPXJIYLHRKX-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.09
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide

N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide (PubChem CID 806247) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide
PubChem CID806247
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NOS/c16-11-6-7-14(13(17)10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMQNDPXJIYLHRKX-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 ≤ 500293.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide (CID 806247) is N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is MQNDPXJIYLHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-11-6-7-14(13(17)10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide?
N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 293.34 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 N-(2,4-difluorophenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 806247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).