(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C22H19F2NO2S — CID 9046235

IUPAC(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C22H19F2NO2S/c1-14-8-10-19(27-2)18(12-14)25-22(26)21(15-6-4-3-5-7-15)28-20-11-9-16(23)13-17(20)24/h3-13,21H,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyPPEQTBHRTCHMDR-OAQYLSRUSA-N
MW399.46 g/mol
LogP5.75
Rot. Bonds6

About (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 9046235) has the molecular formula C22H19F2NO2S and a molecular weight of 399.46 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID9046235
Molecular FormulaC22H19F2NO2S
Molecular Weight399.46 g/mol
Exact Mass399.11
IUPAC Name(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C22H19F2NO2S/c1-14-8-10-19(27-2)18(12-14)25-22(26)21(15-6-4-3-5-7-15)28-20-11-9-16(23)13-17(20)24/h3-13,21H,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyPPEQTBHRTCHMDR-OAQYLSRUSA-N
XLogP5.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,4-difluorobenzoate
CID 4853977
(2R)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2397519
(2R)-2-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2417748
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4783734
(2R)-N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2460572
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2R)-N-(5-chloro-2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1371327
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16506976
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 135706250
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 9046235) is (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is COc1ccc(C)cc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is PPEQTBHRTCHMDR-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19F2NO2S/c1-14-8-10-19(27-2)18(12-14)25-22(26)21(15-6-4-3-5-7-15)28-20-11-9-16(23)13-17(20)24/h3-13,21H,1-2H3,(H,25,26)/t21-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 399.46 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 9046235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).