2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide

C14H12ClN3O2S — CID 28893684

IUPAC2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN3O2S/c15-9-5-6-12(17-7-9)18-13(19)8-20-11-4-2-1-3-10(11)14(16)21/h1-7H,8H2,(H2,16,21)(H,17,18,19)
InChIKeyLMHWMOZIPSFPIC-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide

2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 28893684) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID28893684
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN3O2S/c15-9-5-6-12(17-7-9)18-13(19)8-20-11-4-2-1-3-10(11)14(16)21/h1-7H,8H2,(H2,16,21)(H,17,18,19)
InChIKeyLMHWMOZIPSFPIC-UHFFFAOYSA-N
XLogP2.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.39
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
N-(5-chloro-2-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 34135754
2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
CID 24691201
2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
CID 114912654
2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
CID 66354146
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
N-(5-chloro-2-pyridinyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861847
2-[2-(2-chloroanilino)-2-oxoethoxy]benzamide
CID 3481891
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide (CID 28893684) is 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide is NC(=S)c1ccccc1OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is LMHWMOZIPSFPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-9-5-6-12(17-7-9)18-13(19)8-20-11-4-2-1-3-10(11)14(16)21/h1-7H,8H2,(H2,16,21)(H,17,18,19).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 321.79 g/mol, XLogP of 2.39, 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-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 28893684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).