2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide

C19H22N2O3S — CID 5162446

IUPAC2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
SMILESCOc1ccc(OCC(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-9-13(2)18(14(3)10-12)21-19(25)20-17(22)11-24-16-7-5-15(23-4)6-8-16/h5-10H,11H2,1-4H3,(H2,20,21,22,25)
InChIKeyYRNMESQQULPYPS-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.51
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide

2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide (PubChem CID 5162446) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
PubChem CID5162446
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
SMILESCOc1ccc(OCC(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-9-13(2)18(14(3)10-12)21-19(25)20-17(22)11-24-16-7-5-15(23-4)6-8-16/h5-10H,11H2,1-4H3,(H2,20,21,22,25)
InChIKeyYRNMESQQULPYPS-UHFFFAOYSA-N
XLogP3.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 922742
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 884926
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
2-(4-methoxyphenoxy)-N'-[2-(2,4,6-trimethylphenoxy)acetyl]acetohydrazide
CID 2479123
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
2-(4-methylphenoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 4634338
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1048152
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide (CID 5162446) is 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide is COc1ccc(OCC(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The InChIKey is YRNMESQQULPYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-9-13(2)18(14(3)10-12)21-19(25)20-17(22)11-24-16-7-5-15(23-4)6-8-16/h5-10H,11H2,1-4H3,(H2,20,21,22,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 5162446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).