2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

C16H14F3NOS — CID 2955228

IUPAC2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NOS/c1-11(22-14-5-3-2-4-6-14)15(21)20-13-9-7-12(8-10-13)16(17,18)19/h2-11H,1H3,(H,20,21)
InChIKeyAQTWNTGQAMWCNK-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.82
Rot. Bonds4

About 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 2955228) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID2955228
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NOS/c1-11(22-14-5-3-2-4-6-14)15(21)20-13-9-7-12(8-10-13)16(17,18)19/h2-11H,1H3,(H,20,21)
InChIKeyAQTWNTGQAMWCNK-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 2955228) is 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AQTWNTGQAMWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c1-11(22-14-5-3-2-4-6-14)15(21)20-13-9-7-12(8-10-13)16(17,18)19/h2-11H,1H3,(H,20,21).
What are the key properties of 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 325.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 2955228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).