N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide

C18H20N2O3S — CID 3877671

IUPACN-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC(=S)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O3S/c1-12-7-8-14(9-13(12)2)19-18(24)20-17(21)11-23-16-6-4-5-15(10-16)22-3/h4-10H,11H2,1-3H3,(H2,19,20,21,24)
InChIKeyRZWQVRRZYFWJRE-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.20
Rot. Bonds5

About N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide

N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 3877671) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID3877671
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC(=S)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O3S/c1-12-7-8-14(9-13(12)2)19-18(24)20-17(21)11-23-16-6-4-5-15(10-16)22-3/h4-10H,11H2,1-3H3,(H2,19,20,21,24)
InChIKeyRZWQVRRZYFWJRE-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.20
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-[(3-bromo-4-methoxyphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 5090214
N-[(4-bromophenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1016495
N-(3-amino-4-methylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867332
2-chloro-5-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507063
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
3-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417235
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 884841

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide (CID 3877671) is N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NC(=S)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is RZWQVRRZYFWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-7-8-14(9-13(12)2)19-18(24)20-17(21)11-23-16-6-4-5-15(10-16)22-3/h4-10H,11H2,1-3H3,(H2,19,20,21,24).
What are the key properties of N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide?
N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 344.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamothioyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 3877671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).