2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide

C19H21FN4O4S — CID 8871416

IUPAC2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
SMILESCOc1cc(/C=N\NC(=S)NCc2ccc(F)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H21FN4O4S/c1-26-15-7-13(8-16(27-2)18(15)28-11-17(21)25)10-23-24-19(29)22-9-12-3-5-14(20)6-4-12/h3-8,10H,9,11H2,1-2H3,(H2,21,25)(H2,22,24,29)/b23-10-
InChIKeyXCTKOHRCJYQTEN-RMORIDSASA-N
MW420.47 g/mol
LogP1.71
Rot. Bonds9

About 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide

2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide (PubChem CID 8871416) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
PubChem CID8871416
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC Name2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
SMILESCOc1cc(/C=N\NC(=S)NCc2ccc(F)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H21FN4O4S/c1-26-15-7-13(8-16(27-2)18(15)28-11-17(21)25)10-23-24-19(29)22-9-12-3-5-14(20)6-4-12/h3-8,10H,9,11H2,1-2H3,(H2,21,25)(H2,22,24,29)/b23-10-
InChIKeyXCTKOHRCJYQTEN-RMORIDSASA-N
XLogP1.71
TPSA107.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide 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

2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8826313
2-[4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 9212722
[4-[(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 4240915
2-[4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8825944
1-ethyl-3-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 6257137
1-[(4-fluorophenyl)methyl]-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 135776876
2-[2-bromo-4-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetamide
CID 57363032
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
1-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8979552
1-[(4-butoxyphenyl)methyl]-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 6872025
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide
CID 8826202
ethyl 2-[2-chloro-4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 126242616

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide (CID 8871416) is 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide is COc1cc(/C=N\NC(=S)NCc2ccc(F)cc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide?
The InChIKey is XCTKOHRCJYQTEN-RMORIDSASA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-26-15-7-13(8-16(27-2)18(15)28-11-17(21)25)10-23-24-19(29)22-9-12-3-5-14(20)6-4-12/h3-8,10H,9,11H2,1-2H3,(H2,21,25)(H2,22,24,29)/b23-10-.
What are the key properties of 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide?
2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide has a molecular weight of 420.47 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide is sourced from PubChem (CID 8871416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).