N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide

C21H18N2O2S — CID 3392221

IUPACN-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NC(=S)N1CCc2ccccc21
InChIInChI=1S/C21H18N2O2S/c24-20(14-25-19-11-5-8-15-6-1-3-9-17(15)19)22-21(26)23-13-12-16-7-2-4-10-18(16)23/h1-11H,12-14H2,(H,22,24,26)
InChIKeyFOZIKYHJPZKVPG-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.68
Rot. Bonds3

About N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide

N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide (PubChem CID 3392221) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide
PubChem CID3392221
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NC(=S)N1CCc2ccccc21
InChIInChI=1S/C21H18N2O2S/c24-20(14-25-19-11-5-8-15-6-1-3-9-17(15)19)22-21(26)23-13-12-16-7-2-4-10-18(16)23/h1-11H,12-14H2,(H,22,24,26)
InChIKeyFOZIKYHJPZKVPG-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149525
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 4599962
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307
methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3388367
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
CID 7293171

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide (CID 3392221) is N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NC(=S)N1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide?
The InChIKey is FOZIKYHJPZKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-20(14-25-19-11-5-8-15-6-1-3-9-17(15)19)22-21(26)23-13-12-16-7-2-4-10-18(16)23/h1-11H,12-14H2,(H,22,24,26).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide?
N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide has a molecular weight of 362.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3392221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).