2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide

C13H18N2O3S — CID 43591453

IUPAC2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
SMILESCCOCCNC(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C13H18N2O3S/c1-2-17-8-7-15-12(16)9-18-11-6-4-3-5-10(11)13(14)19/h3-6H,2,7-9H2,1H3,(H2,14,19)(H,15,16)
InChIKeyHQXMVYCVLACKMJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.85
Rot. Bonds8

About 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide

2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide (PubChem CID 43591453) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
PubChem CID43591453
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
SMILESCCOCCNC(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C13H18N2O3S/c1-2-17-8-7-15-12(16)9-18-11-6-4-3-5-10(11)13(14)19/h3-6H,2,7-9H2,1H3,(H2,14,19)(H,15,16)
InChIKeyHQXMVYCVLACKMJ-UHFFFAOYSA-N
XLogP0.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-carbamothioylphenoxy)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 62640625
3-(2-carbamothioylphenoxy)-N-ethylpropanamide
CID 62324611
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
CID 8529413
ethyl 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate
CID 9371413
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide (CID 43591453) is 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide is CCOCCNC(=O)COc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide?
The InChIKey is HQXMVYCVLACKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-17-8-7-15-12(16)9-18-11-6-4-3-5-10(11)13(14)19/h3-6H,2,7-9H2,1H3,(H2,14,19)(H,15,16).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide?
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide is sourced from PubChem (CID 43591453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).