2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C19H22N4O2S — CID 6875401

IUPAC2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N4O2S/c1-3-20-19(26)23-21-12-15-6-10-17(11-7-15)25-13-18(24)22-16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,22,24)(H2,20,23,26)/b21-12+
InChIKeyIHWZSOPQKAKEDH-CIAFOILYSA-N
MW370.48 g/mol
LogP2.83
Rot. Bonds7

About 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 6875401) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID6875401
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N4O2S/c1-3-20-19(26)23-21-12-15-6-10-17(11-7-15)25-13-18(24)22-16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,22,24)(H2,20,23,26)/b21-12+
InChIKeyIHWZSOPQKAKEDH-CIAFOILYSA-N
XLogP2.83
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 6875401) is 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide is CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is IHWZSOPQKAKEDH-CIAFOILYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-20-19(26)23-21-12-15-6-10-17(11-7-15)25-13-18(24)22-16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,22,24)(H2,20,23,26)/b21-12+.
What are the key properties of 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 6875401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).