2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide

C14H13N3O2S — CID 24691201

IUPAC2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1cccnc1
InChIInChI=1S/C14H13N3O2S/c15-14(20)11-5-1-2-6-12(11)19-9-13(18)17-10-4-3-7-16-8-10/h1-8H,9H2,(H2,15,20)(H,17,18)
InChIKeyHLFWCUYPEIDOSE-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.73
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide

2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide (PubChem CID 24691201) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
PubChem CID24691201
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1cccnc1
InChIInChI=1S/C14H13N3O2S/c15-14(20)11-5-1-2-6-12(11)19-9-13(18)17-10-4-3-7-16-8-10/h1-8H,9H2,(H2,15,20)(H,17,18)
InChIKeyHLFWCUYPEIDOSE-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.73
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

2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026
2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
CID 66354146
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 28893684
2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
CID 114912654
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640912
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
CID 6069598

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide (CID 24691201) is 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide is NC(=S)c1ccccc1OCC(=O)Nc1cccnc1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide?
The InChIKey is HLFWCUYPEIDOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-14(20)11-5-1-2-6-12(11)19-9-13(18)17-10-4-3-7-16-8-10/h1-8H,9H2,(H2,15,20)(H,17,18).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide?
2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide has a molecular weight of 287.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 24691201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).