N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide

C16H12F3NOS — CID 90954508

IUPACN-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide
SMILESO=C(C=CSc1ccc(C(F)(F)F)cc1)Nc1ccccc1
InChIInChI=1S/C16H12F3NOS/c17-16(18,19)12-6-8-14(9-7-12)22-11-10-15(21)20-13-4-2-1-3-5-13/h1-11H,(H,20,21)
InChIKeyQBVFVRQOLUTDHE-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.95
Rot. Bonds4

About N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide

N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide (PubChem CID 90954508) has the molecular formula C16H12F3NOS and a molecular weight of 323.34 g/mol. Its IUPAC name is N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide.

Molecular Properties

Compound NameN-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide
PubChem CID90954508
Molecular FormulaC16H12F3NOS
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC NameN-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide
SMILESO=C(C=CSc1ccc(C(F)(F)F)cc1)Nc1ccccc1
InChIInChI=1S/C16H12F3NOS/c17-16(18,19)12-6-8-14(9-7-12)22-11-10-15(21)20-13-4-2-1-3-5-13/h1-11H,(H,20,21)
InChIKeyQBVFVRQOLUTDHE-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175599105
(4-tert-butylphenyl) N-phenyl-3-phenylsulfanylprop-2-enimidothioate;N-phenyl-3-phenylsulfanylprop-2-enamide
CID 69144814
(E)-3-phenylsulfanyl-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 67997746
N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
CID 84925586
(E)-N-phenyl-3-propan-2-ylsulfanylprop-2-enamide
CID 69128150
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
CID 9083670
(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54710314
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
CID 699500
3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
CID 156695258

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide?
The IUPAC name of N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide (CID 90954508) is N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide.
What is the SMILES notation for N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide?
The canonical SMILES for N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide is O=C(C=CSc1ccc(C(F)(F)F)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide?
The InChIKey is QBVFVRQOLUTDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NOS/c17-16(18,19)12-6-8-14(9-7-12)22-11-10-15(21)20-13-4-2-1-3-5-13/h1-11H,(H,20,21).
What are the key properties of N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide?
N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide has a molecular weight of 323.34 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylprop-2-enamide is sourced from PubChem (CID 90954508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).