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

C22H18N2O2S — CID 4267922

IUPAC2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccccc1O
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)
InChIKeyXHXQTWZXDUIMFH-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.35
Rot. Bonds5

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

2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 4267922) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID4267922
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccccc1O
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)
InChIKeyXHXQTWZXDUIMFH-UHFFFAOYSA-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'}

Analyze 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide (CID 4267922) is 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccccc1O.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is XHXQTWZXDUIMFH-UHFFFAOYSA-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).
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
2-(9H-fluoren-9-ylsulfanyl)-N-[(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-[(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4267922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).