N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide

C20H18N2O2S — CID 3388367

IUPACN-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc(NC(=S)NC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-9-11-16(12-10-14)21-20(25)22-19(23)13-24-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,21,22,23,25)
InChIKeyYXZZPBVAVFYRLR-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.04
Rot. Bonds4

About N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide

N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 3388367) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
PubChem CID3388367
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc(NC(=S)NC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-9-11-16(12-10-14)21-20(25)22-19(23)13-24-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,21,22,23,25)
InChIKeyYXZZPBVAVFYRLR-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.04
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

N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393533
N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393487
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393539
2-naphthalen-1-yloxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 3394643
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3390976
2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide
CID 3392220
2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 916660

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide (CID 3388367) is N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide is Cc1ccc(NC(=S)NC(=O)COc2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is YXZZPBVAVFYRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-9-11-16(12-10-14)21-20(25)22-19(23)13-24-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 350.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3388367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).