2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide

C21H20N2O2S — CID 3392220

IUPAC2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide
SMILESCC(NC(=S)NC(=O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-15(16-8-3-2-4-9-16)22-21(26)23-20(24)14-25-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15H,14H2,1H3,(H2,22,23,24,26)
InChIKeyDSUZGRLMVLLLFY-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.97
Rot. Bonds5

About 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide

2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide (PubChem CID 3392220) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide
PubChem CID3392220
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide
SMILESCC(NC(=S)NC(=O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-15(16-8-3-2-4-9-16)22-21(26)23-20(24)14-25-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15H,14H2,1H3,(H2,22,23,24,26)
InChIKeyDSUZGRLMVLLLFY-UHFFFAOYSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3388367
N-(4-methylpentan-2-yl)-2-naphthalen-1-yloxyacetamide
CID 11839391
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2207675
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513120
N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4512986

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide (CID 3392220) is 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide is CC(NC(=S)NC(=O)COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide?
The InChIKey is DSUZGRLMVLLLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15(16-8-3-2-4-9-16)22-21(26)23-20(24)14-25-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15H,14H2,1H3,(H2,22,23,24,26).
What are the key properties of 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide?
2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide is sourced from PubChem (CID 3392220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).