N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide

C20H18N2O3S — CID 3393533

IUPACN-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NC(=S)Nc1cccc(CO)c1
InChIInChI=1S/C20H18N2O3S/c23-12-14-5-3-8-16(11-14)21-20(26)22-19(24)13-25-18-10-4-7-15-6-1-2-9-17(15)18/h1-11,23H,12-13H2,(H2,21,22,24,26)
InChIKeyHWUGBRBUZYFOIS-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.22
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide

N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 3393533) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
PubChem CID3393533
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NC(=S)Nc1cccc(CO)c1
InChIInChI=1S/C20H18N2O3S/c23-12-14-5-3-8-16(11-14)21-20(26)22-19(24)13-25-18-10-4-7-15-6-1-2-9-17(15)18/h1-11,23H,12-13H2,(H2,21,22,24,26)
InChIKeyHWUGBRBUZYFOIS-UHFFFAOYSA-N
XLogP3.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3388367
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 1014420
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
2-naphthalen-1-yloxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 3394643
2-(2,4-dibromo-6-methylphenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 3362727
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307
2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
CID 1016441
N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4512986
5-benzyl-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)carbamothioylamino]thiophene-3-carboxamide
CID 3394757

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide (CID 3393533) is N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NC(=S)Nc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is HWUGBRBUZYFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-12-14-5-3-8-16(11-14)21-20(26)22-19(24)13-25-18-10-4-7-15-6-1-2-9-17(15)18/h1-11,23H,12-13H2,(H2,21,22,24,26).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide?
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 366.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3393533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).