(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide

C21H20FNOS — CID 7402963

IUPAC(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
SMILESC[C@H](NC(=O)[C@@H](C)Sc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNOS/c1-14(16-7-10-19(22)11-8-16)23-21(24)15(2)25-20-12-9-17-5-3-4-6-18(17)13-20/h3-15H,1-2H3,(H,23,24)/t14-,15+/m0/s1
InChIKeyRUSSNTUDKZDBEI-LSDHHAIUSA-N
MW353.46 g/mol
LogP5.34
Rot. Bonds5

About (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide

(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide (PubChem CID 7402963) has the molecular formula C21H20FNOS and a molecular weight of 353.46 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
PubChem CID7402963
Molecular FormulaC21H20FNOS
Molecular Weight353.46 g/mol
Exact Mass353.12
IUPAC Name(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
SMILESC[C@H](NC(=O)[C@@H](C)Sc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNOS/c1-14(16-7-10-19(22)11-8-16)23-21(24)15(2)25-20-12-9-17-5-3-4-6-18(17)13-20/h3-15H,1-2H3,(H,23,24)/t14-,15+/m0/s1
InChIKeyRUSSNTUDKZDBEI-LSDHHAIUSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 51139785
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7403013
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7465377
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8731031
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7363821
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide (CID 7402963) is (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide is C[C@H](NC(=O)[C@@H](C)Sc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide?
The InChIKey is RUSSNTUDKZDBEI-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H20FNOS/c1-14(16-7-10-19(22)11-8-16)23-21(24)15(2)25-20-12-9-17-5-3-4-6-18(17)13-20/h3-15H,1-2H3,(H,23,24)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide?
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide has a molecular weight of 353.46 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide is sourced from PubChem (CID 7402963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).