2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide

C12H16N2O3S — CID 54956323

IUPAC2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1cccc(C(N)=S)c1
InChIInChI=1S/C12H16N2O3S/c1-16-6-5-14-11(15)8-17-10-4-2-3-9(7-10)12(13)18/h2-4,7H,5-6,8H2,1H3,(H2,13,18)(H,14,15)
InChIKeyZZDMHLHWUGJCOB-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.46
Rot. Bonds7

About 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide

2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 54956323) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID54956323
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1cccc(C(N)=S)c1
InChIInChI=1S/C12H16N2O3S/c1-16-6-5-14-11(15)8-17-10-4-2-3-9(7-10)12(13)18/h2-4,7H,5-6,8H2,1H3,(H2,13,18)(H,14,15)
InChIKeyZZDMHLHWUGJCOB-UHFFFAOYSA-N
XLogP0.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.46
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-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 65471730
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide
CID 87024121
N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide
CID 28512642
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
3-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427151
3-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936296

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide (CID 54956323) is 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1cccc(C(N)=S)c1.
What is the InChIKey of 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is ZZDMHLHWUGJCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-16-6-5-14-11(15)8-17-10-4-2-3-9(7-10)12(13)18/h2-4,7H,5-6,8H2,1H3,(H2,13,18)(H,14,15).
What are the key properties of 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54956323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).