(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide

C22H23NO2S — CID 92681954

IUPAC(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1
InChIInChI=1S/C22H23NO2S/c1-2-20(22(24)23-15-16-26-18-11-4-3-5-12-18)25-21-14-8-10-17-9-6-7-13-19(17)21/h3-14,20H,2,15-16H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyBAOZEIXRFPJZHQ-HXUWFJFHSA-N
MW365.50 g/mol
LogP4.91
Rot. Bonds8

About (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide

(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide (PubChem CID 92681954) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide
PubChem CID92681954
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1
InChIInChI=1S/C22H23NO2S/c1-2-20(22(24)23-15-16-26-18-11-4-3-5-12-18)25-21-14-8-10-17-9-6-7-13-19(17)21/h3-14,20H,2,15-16H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyBAOZEIXRFPJZHQ-HXUWFJFHSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide?
The IUPAC name of (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide (CID 92681954) is (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide.
What is the SMILES notation for (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide?
The canonical SMILES for (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1.
What is the InChIKey of (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide?
The InChIKey is BAOZEIXRFPJZHQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-2-20(22(24)23-15-16-26-18-11-4-3-5-12-18)25-21-14-8-10-17-9-6-7-13-19(17)21/h3-14,20H,2,15-16H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide?
(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide has a molecular weight of 365.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide is sourced from PubChem (CID 92681954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).