2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide

C13H11ClN2O2S — CID 82055419

IUPAC2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(=S)[nH]c1
InChIInChI=1S/C13H11ClN2O2S/c14-10-3-1-2-4-11(10)18-8-12(17)16-9-5-6-13(19)15-7-9/h1-7H,8H2,(H,15,19)(H,16,17)
InChIKeyIEHWGUPVYQAWOW-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide

2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide (PubChem CID 82055419) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide
PubChem CID82055419
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(=S)[nH]c1
InChIInChI=1S/C13H11ClN2O2S/c14-10-3-1-2-4-11(10)18-8-12(17)16-9-5-6-13(19)15-7-9/h1-7H,8H2,(H,15,19)(H,16,17)
InChIKeyIEHWGUPVYQAWOW-UHFFFAOYSA-N
XLogP3.42
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 3544904
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide (CID 82055419) is 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(=S)[nH]c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide?
The InChIKey is IEHWGUPVYQAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-3-1-2-4-11(10)18-8-12(17)16-9-5-6-13(19)15-7-9/h1-7H,8H2,(H,15,19)(H,16,17).
What are the key properties of 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide?
2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide has a molecular weight of 294.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 82055419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).