2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C18H18N2O2S — CID 135452596

IUPAC2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSC1CCc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N2O2S/c21-16-8-4-2-6-14(16)11-19-20-18(22)12-23-17-10-9-13-5-1-3-7-15(13)17/h1-8,11,17,21H,9-10,12H2,(H,20,22)/b19-11+
InChIKeyRCABVSNSNNHAIS-YBFXNURJSA-N
MW326.42 g/mol
LogP3.26
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135452596) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135452596
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSC1CCc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N2O2S/c21-16-8-4-2-6-14(16)11-19-20-18(22)12-23-17-10-9-13-5-1-3-7-15(13)17/h1-8,11,17,21H,9-10,12H2,(H,20,22)/b19-11+
InChIKeyRCABVSNSNNHAIS-YBFXNURJSA-N
XLogP3.26
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzylidene)-2-(phenylthio)acetohydrazide
CID 135422710
2-(9H-fluoren-9-ylsulfanyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135476826
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dithiane-2-carboxamide
CID 135520023
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)sulfanyl]propanehydrazide
CID 135521601
N-[(2-hydroxyphenyl)methylideneamino]-2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 232434
N-[(2-hydroxyphenyl)methylideneamino]-3-[3-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 232436
2((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)N'-(2-HO-benzylidene)acetohydrazide
CID 135642140
N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 135599010
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 135408639
N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(phenylthio)acetohydrazide
CID 879985
(3-Hydroxy-benzylidene-hydrazinocarbonylmethylsulfanyl)aceti c acid (3-hydroxy-benzylidene)-hydrazide
CID 9572687
N'-(2-hydroxybenzylidene)-2-({2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}sulfanyl)acetohydrazide
CID 135431368

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135452596) is 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSC1CCc2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RCABVSNSNNHAIS-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-16-8-4-2-6-14(16)11-19-20-18(22)12-23-17-10-9-13-5-1-3-7-15(13)17/h1-8,11,17,21H,9-10,12H2,(H,20,22)/b19-11+.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135452596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).