(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide

C15H11ClF3NOS — CID 7761137

IUPAC(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H11ClF3NOS/c1-8(22-12-5-3-2-4-9(12)16)15(21)20-11-7-6-10(17)13(18)14(11)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYRBOXMVGTXDXBR-MRVPVSSYSA-N
MW345.77 g/mol
LogP4.88
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7761137) has the molecular formula C15H11ClF3NOS and a molecular weight of 345.77 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7761137
Molecular FormulaC15H11ClF3NOS
Molecular Weight345.77 g/mol
Exact Mass345.02
IUPAC Name(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H11ClF3NOS/c1-8(22-12-5-3-2-4-9(12)16)15(21)20-11-7-6-10(17)13(18)14(11)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYRBOXMVGTXDXBR-MRVPVSSYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42973453
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 4817487
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7459297
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 7806551
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide (CID 7761137) is (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide is C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is YRBOXMVGTXDXBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11ClF3NOS/c1-8(22-12-5-3-2-4-9(12)16)15(21)20-11-7-6-10(17)13(18)14(11)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 345.77 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7761137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).