(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide

C20H15FN2O3S — CID 1343901

IUPAC(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H15FN2O3S/c21-17-12-11-15(23(25)26)13-18(17)22-20(24)19(14-7-3-1-4-8-14)27-16-9-5-2-6-10-16/h1-13,19H,(H,22,24)/t19-/m1/s1
InChIKeyLOMFSNXLUXYONN-LJQANCHMSA-N
MW382.42 g/mol
LogP5.21
Rot. Bonds6

About (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 1343901) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID1343901
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H15FN2O3S/c21-17-12-11-15(23(25)26)13-18(17)22-20(24)19(14-7-3-1-4-8-14)27-16-9-5-2-6-10-16/h1-13,19H,(H,22,24)/t19-/m1/s1
InChIKeyLOMFSNXLUXYONN-LJQANCHMSA-N
XLogP5.21
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 7183598
2-(4-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)-2-phenylacetamide
CID 22780313
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
2-(3-aminophenyl)sulfanyl-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 18894428
2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
CID 63581022
N-[4-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21169111
N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21169110
2,4-dichloro-N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21170406
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905227
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 23100207

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 1343901) is (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is LOMFSNXLUXYONN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-17-12-11-15(23(25)26)13-18(17)22-20(24)19(14-7-3-1-4-8-14)27-16-9-5-2-6-10-16/h1-13,19H,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 382.42 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 1343901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).