1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone

C20H16N2OS — CID 143179773

IUPAC1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c2cc(NSc3cccc4ccccc34)ccc12
InChIInChI=1S/C20H16N2OS/c1-13(23)18-12-21-19-11-15(9-10-17(18)19)22-24-20-8-4-6-14-5-2-3-7-16(14)20/h2-12,21-22H,1H3
InChIKeyADIJYJGJQGCREO-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.64
Rot. Bonds4

About 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone

1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone (PubChem CID 143179773) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone
PubChem CID143179773
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c2cc(NSc3cccc4ccccc34)ccc12
InChIInChI=1S/C20H16N2OS/c1-13(23)18-12-21-19-11-15(9-10-17(18)19)22-24-20-8-4-6-14-5-2-3-7-16(14)20/h2-12,21-22H,1H3
InChIKeyADIJYJGJQGCREO-UHFFFAOYSA-N
XLogP5.64
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzo[e]indol-1-yl)ethanone
CID 170857784
N-[(2R,3R,4S,5R)-1-(6-fluoro-1H-indol-3-yl)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 68758859
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7964667
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
CID 84543848
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601

Frequently Asked Questions

What is the IUPAC name of 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone (CID 143179773) is 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone is CC(=O)c1c[nH]c2cc(NSc3cccc4ccccc34)ccc12.
What is the InChIKey of 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone?
The InChIKey is ADIJYJGJQGCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13(23)18-12-21-19-11-15(9-10-17(18)19)22-24-20-8-4-6-14-5-2-3-7-16(14)20/h2-12,21-22H,1H3.
What are the key properties of 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone?
1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone has a molecular weight of 332.43 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 143179773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).