2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone

C20H16N2O3S — CID 27355487

IUPAC2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C20H16N2O3S/c23-20(13-26-18-7-5-14-3-1-2-4-15(14)12-18)21-10-9-16-11-17(22(24)25)6-8-19(16)21/h1-8,11-12H,9-10,13H2
InChIKeyXNSKNBSRGQOKLA-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.43
Rot. Bonds4

About 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone

2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 27355487) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID27355487
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C20H16N2O3S/c23-20(13-26-18-7-5-14-3-1-2-4-15(14)12-18)21-10-9-16-11-17(22(24)25)6-8-19(16)21/h1-8,11-12H,9-10,13H2
InChIKeyXNSKNBSRGQOKLA-UHFFFAOYSA-N
XLogP4.43
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 27355024
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)sulfanylethanone
CID 24556675
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 2782274
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethoxy]naphthalene-1-carbaldehyde
CID 27310345
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
5-(5-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 155928155
2-(1H-benzimidazol-2-ylsulfanyl)-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46644066
2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 18102372
(2S)-2-amino-5-(5-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 155928165
5-nitro-2,3-dihydroindole-1-carbothioamide
CID 59276829

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone (CID 27355487) is 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone is O=C(CSc1ccc2ccccc2c1)N1CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XNSKNBSRGQOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-20(13-26-18-7-5-14-3-1-2-4-15(14)12-18)21-10-9-16-11-17(22(24)25)6-8-19(16)21/h1-8,11-12H,9-10,13H2.
What are the key properties of 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone?
2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 364.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 27355487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).