(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide

C19H16N2O3S — CID 7793144

IUPAC(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3S/c1-13(19(22)20-17-8-4-5-9-18(17)21(23)24)25-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,20,22)/t13-/m0/s1
InChIKeyRHWHCIVAYPVHCK-ZDUSSCGKSA-N
MW352.42 g/mol
LogP4.87
Rot. Bonds5

About (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide

(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide (PubChem CID 7793144) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
PubChem CID7793144
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
SMILESC[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3S/c1-13(19(22)20-17-8-4-5-9-18(17)21(23)24)25-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,20,22)/t13-/m0/s1
InChIKeyRHWHCIVAYPVHCK-ZDUSSCGKSA-N
XLogP4.87
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.87
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)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 8680581
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 7397774
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 7795760
2-(4-methoxyphenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 43908731
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7847873
(2S)-N-(2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 7795583
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
(2R)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196768
(2S)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196767
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647
[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate
CID 165402895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide (CID 7793144) is (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide is C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide?
The InChIKey is RHWHCIVAYPVHCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-13(19(22)20-17-8-4-5-9-18(17)21(23)24)25-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide?
(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide has a molecular weight of 352.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 7793144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).