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

C19H22N4O4S — CID 8826313

IUPAC2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide
SMILESCOc1cc(/C=N\NC(=S)NCc2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H22N4O4S/c1-25-15-8-14(9-16(26-2)18(15)27-12-17(20)24)11-22-23-19(28)21-10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H2,20,24)(H2,21,23,28)/b22-11-
InChIKeyOSZDSQJSLMBOJM-JJFYIABZSA-N
MW402.48 g/mol
LogP1.57
Rot. Bonds9

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

2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide (PubChem CID 8826313) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide
PubChem CID8826313
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide
SMILESCOc1cc(/C=N\NC(=S)NCc2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H22N4O4S/c1-25-15-8-14(9-16(26-2)18(15)27-12-17(20)24)11-22-23-19(28)21-10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H2,20,24)(H2,21,23,28)/b22-11-
InChIKeyOSZDSQJSLMBOJM-JJFYIABZSA-N
XLogP1.57
TPSA107.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.57
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'}

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Related Compounds

2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8871416
2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 8861765
2-[4-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 16553739
1-benzyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
CID 6310249
2-[4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 9212722
1-benzyl-3-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 110338066
1-benzyl-3-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]thiourea
CID 4692210
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
1-benzyl-3-[(3-methoxyphenyl)methylideneamino]thiourea
CID 3394811
2-[2-bromo-4-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetamide
CID 57363032
[4-[(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 4240915
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide (CID 8826313) is 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide is COc1cc(/C=N\NC(=S)NCc2ccccc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide?
The InChIKey is OSZDSQJSLMBOJM-JJFYIABZSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-25-15-8-14(9-16(26-2)18(15)27-12-17(20)24)11-22-23-19(28)21-10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H2,20,24)(H2,21,23,28)/b22-11-.
What are the key properties of 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide?
2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide has a molecular weight of 402.48 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide is sourced from PubChem (CID 8826313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).