2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C14H11Cl2N3O2S — CID 135716635

IUPAC2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1cc(Cl)c(Cl)cn1)N/N=C/c1ccccc1O
InChIInChI=1S/C14H11Cl2N3O2S/c15-10-5-14(17-7-11(10)16)22-8-13(21)19-18-6-9-3-1-2-4-12(9)20/h1-7,20H,8H2,(H,19,21)/b18-6+
InChIKeyDIVDEEHCBHQADN-NGYBGAFCSA-N
MW356.23 g/mol
LogP3.34
Rot. Bonds5

About 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135716635) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135716635
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1cc(Cl)c(Cl)cn1)N/N=C/c1ccccc1O
InChIInChI=1S/C14H11Cl2N3O2S/c15-10-5-14(17-7-11(10)16)22-8-13(21)19-18-6-9-3-1-2-4-12(9)20/h1-7,20H,8H2,(H,19,21)/b18-6+
InChIKeyDIVDEEHCBHQADN-NGYBGAFCSA-N
XLogP3.34
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135632126
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 135716445
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 135538144
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
CID 135606852
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716255
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136911175
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135716635) is 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSc1cc(Cl)c(Cl)cn1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is DIVDEEHCBHQADN-NGYBGAFCSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c15-10-5-14(17-7-11(10)16)22-8-13(21)19-18-6-9-3-1-2-4-12(9)20/h1-7,20H,8H2,(H,19,21)/b18-6+.
What are the key properties of 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 356.23 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135716635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).