(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide

C21H21NO2S — CID 94019853

IUPAC(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1SC
InChIInChI=1S/C21H21NO2S/c1-3-18(21(23)22-17-12-6-7-14-20(17)25-2)24-19-13-8-10-15-9-4-5-11-16(15)19/h4-14,18H,3H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyLWTUQESGXDUSED-GOSISDBHSA-N
MW351.47 g/mol
LogP5.36
Rot. Bonds6

About (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide

(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 94019853) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
PubChem CID94019853
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1SC
InChIInChI=1S/C21H21NO2S/c1-3-18(21(23)22-17-12-6-7-14-20(17)25-2)24-19-13-8-10-15-9-4-5-11-16(15)19/h4-14,18H,3H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyLWTUQESGXDUSED-GOSISDBHSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
(2R)-N-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
2-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]-N-propan-2-ylbenzamide
CID 38005316
methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate
CID 92682140
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-N-(2,4-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 99954003
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide (CID 94019853) is (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1SC.
What is the InChIKey of (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is LWTUQESGXDUSED-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-3-18(21(23)22-17-12-6-7-14-20(17)25-2)24-19-13-8-10-15-9-4-5-11-16(15)19/h4-14,18H,3H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide?
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide has a molecular weight of 351.47 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 94019853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).