3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide

C15H12F3NOS — CID 107028642

IUPAC3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
SMILESO=C(Nc1cc(F)cc(F)c1F)C(S)Cc1ccccc1
InChIInChI=1S/C15H12F3NOS/c16-10-7-11(17)14(18)12(8-10)19-15(20)13(21)6-9-4-2-1-3-5-9/h1-5,7-8,13,21H,6H2,(H,19,20)
InChIKeySSSFBBXRTICSFZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.58
Rot. Bonds4

About 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide

3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide (PubChem CID 107028642) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
PubChem CID107028642
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
SMILESO=C(Nc1cc(F)cc(F)c1F)C(S)Cc1ccccc1
InChIInChI=1S/C15H12F3NOS/c16-10-7-11(17)14(18)12(8-10)19-15(20)13(21)6-9-4-2-1-3-5-9/h1-5,7-8,13,21H,6H2,(H,19,20)
InChIKeySSSFBBXRTICSFZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107531677
N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107036110
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021334
3-phenyl-2-sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 107020178
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021867
N-(2-bromo-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107019806
N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022287
N-(2-chloro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022021
N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107025914
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide?
The IUPAC name of 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide (CID 107028642) is 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide.
What is the SMILES notation for 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide?
The canonical SMILES for 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide is O=C(Nc1cc(F)cc(F)c1F)C(S)Cc1ccccc1.
What is the InChIKey of 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide?
The InChIKey is SSSFBBXRTICSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-10-7-11(17)14(18)12(8-10)19-15(20)13(21)6-9-4-2-1-3-5-9/h1-5,7-8,13,21H,6H2,(H,19,20).
What are the key properties of 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide?
3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide has a molecular weight of 311.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide is sourced from PubChem (CID 107028642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).