(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide

C20H12F5NOS — CID 2163801

IUPAC(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H12F5NOS/c21-13-14(22)16(24)18(17(25)15(13)23)26-20(27)19(11-7-3-1-4-8-11)28-12-9-5-2-6-10-12/h1-10,19H,(H,26,27)/t19-/m0/s1
InChIKeyAYMZNWMCHRRXOF-IBGZPJMESA-N
MW409.38 g/mol
LogP5.85
Rot. Bonds5

About (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide

(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2163801) has the molecular formula C20H12F5NOS and a molecular weight of 409.38 g/mol. Its IUPAC name is (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2163801
Molecular FormulaC20H12F5NOS
Molecular Weight409.38 g/mol
Exact Mass409.06
IUPAC Name(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H12F5NOS/c21-13-14(22)16(24)18(17(25)15(13)23)26-20(27)19(11-7-3-1-4-8-11)28-12-9-5-2-6-10-12/h1-10,19H,(H,26,27)/t19-/m0/s1
InChIKeyAYMZNWMCHRRXOF-IBGZPJMESA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-(3,5-difluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 17271870
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
3,3-dimethyl-N-[4-[2-oxo-1-phenyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 21170650
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
3-methyl-N-[4-[2-oxo-1-phenyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 21171276
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2163801) is (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is AYMZNWMCHRRXOF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H12F5NOS/c21-13-14(22)16(24)18(17(25)15(13)23)26-20(27)19(11-7-3-1-4-8-11)28-12-9-5-2-6-10-12/h1-10,19H,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 409.38 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2163801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).