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

C21H20N2O2S — CID 3389667

IUPACN-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc(NC(=S)NC(=O)COc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H20N2O2S/c1-14-10-11-18(15(2)12-14)22-21(26)23-20(24)13-25-19-9-5-7-16-6-3-4-8-17(16)19/h3-12H,13H2,1-2H3,(H2,22,23,24,26)
InChIKeyXOXBRKMNZIEWBE-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.35
Rot. Bonds4

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

N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 3389667) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
PubChem CID3389667
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc(NC(=S)NC(=O)COc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H20N2O2S/c1-14-10-11-18(15(2)12-14)22-21(26)23-20(24)13-25-19-9-5-7-16-6-3-4-8-17(16)19/h3-12H,13H2,1-2H3,(H2,22,23,24,26)
InChIKeyXOXBRKMNZIEWBE-UHFFFAOYSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.35
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-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3388367
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
2-naphthalen-1-yloxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 3394643
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3390976
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3390983
N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2229345
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide (CID 3389667) is N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide is Cc1ccc(NC(=S)NC(=O)COc2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is XOXBRKMNZIEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-10-11-18(15(2)12-14)22-21(26)23-20(24)13-25-19-9-5-7-16-6-3-4-8-17(16)19/h3-12H,13H2,1-2H3,(H2,22,23,24,26).
What are the key properties of N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide?
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 364.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3389667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).