(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide

C16H15FN2O3S — CID 8571036

IUPAC(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15FN2O3S/c1-10-9-12(17)3-8-15(10)18-16(20)11(2)23-14-6-4-13(5-7-14)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyDSUKLDKSSGSNMH-LLVKDONJSA-N
MW334.37 g/mol
LogP4.16
Rot. Bonds5

About (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide

(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide (PubChem CID 8571036) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
PubChem CID8571036
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15FN2O3S/c1-10-9-12(17)3-8-15(10)18-16(20)11(2)23-14-6-4-13(5-7-14)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyDSUKLDKSSGSNMH-LLVKDONJSA-N
XLogP4.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.16
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'}

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Related Compounds

(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
N-(2-ethoxy-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 87006146
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2629172
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 2957470
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 22780324
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55396338
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46485378
N-[(3,5-difluorophenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46599950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide (CID 8571036) is (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide is Cc1cc(F)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The InChIKey is DSUKLDKSSGSNMH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-10-9-12(17)3-8-15(10)18-16(20)11(2)23-14-6-4-13(5-7-14)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide?
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide has a molecular weight of 334.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide is sourced from PubChem (CID 8571036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).