2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide

C26H23NO2S — CID 43886290

IUPAC2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C26H23NO2S/c1-2-24(29-21-17-16-19-10-6-7-11-20(19)18-21)26(28)27-23-14-8-9-15-25(23)30-22-12-4-3-5-13-22/h3-18,24H,2H2,1H3,(H,27,28)
InChIKeyRHXCOEXBYCMCCM-UHFFFAOYSA-N
MW413.54 g/mol
LogP6.79
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide

2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide (PubChem CID 43886290) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide
PubChem CID43886290
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC Name2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C26H23NO2S/c1-2-24(29-21-17-16-19-10-6-7-11-20(19)18-21)26(28)27-23-14-8-9-15-25(23)30-22-12-4-3-5-13-22/h3-18,24H,2H2,1H3,(H,27,28)
InChIKeyRHXCOEXBYCMCCM-UHFFFAOYSA-N
XLogP6.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 92685827
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide (CID 43886290) is 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide?
The InChIKey is RHXCOEXBYCMCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2S/c1-2-24(29-21-17-16-19-10-6-7-11-20(19)18-21)26(28)27-23-14-8-9-15-25(23)30-22-12-4-3-5-13-22/h3-18,24H,2H2,1H3,(H,27,28).
What are the key properties of 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide?
2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide has a molecular weight of 413.54 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide is sourced from PubChem (CID 43886290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).