2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C22H18N2O2S — CID 135476826

IUPAC2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C22H18N2O2S/c25-20-12-6-1-7-15(20)13-23-24-21(26)14-27-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-13,22,25H,14H2,(H,24,26)/b23-13+
InChIKeyXHXQTWZXDUIMFH-YDZHTSKRSA-N
MW374.47 g/mol
LogP4.35
Rot. Bonds5

About 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135476826) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135476826
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C22H18N2O2S/c25-20-12-6-1-7-15(20)13-23-24-21(26)14-27-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-13,22,25H,14H2,(H,24,26)/b23-13+
InChIKeyXHXQTWZXDUIMFH-YDZHTSKRSA-N
XLogP4.35
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.35
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-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-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135452596
N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 135599010
N'-(2-hydroxybenzylidene)-2-({2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}sulfanyl)acetohydrazide
CID 135431368
N'-[(Biphenyl-4-yl)methylene]-2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]acetohydrazide
CID 139078565
2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 4267922
N'-(2-hydroxybenzylidene)-2-[(2-methylbenzyl)sulfanyl]acetohydrazide
CID 135419558
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-[(4-methylbenzyl)sulfanyl]acetohydrazide
CID 135422686
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135422688
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 135431369
N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-[3-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamoyl]propylsulfanyl]butanehydrazide
CID 135431370

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135476826) is 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is XHXQTWZXDUIMFH-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-20-12-6-1-7-15(20)13-23-24-21(26)14-27-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-13,22,25H,14H2,(H,24,26)/b23-13+.
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135476826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).