2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C15H16N4O4S — CID 135510511

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)nc(SCC(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C15H16N4O4S/c1-22-13-7-14(23-2)18-15(17-13)24-9-12(21)19-16-8-10-3-5-11(20)6-4-10/h3-8,20H,9H2,1-2H3,(H,19,21)/b16-8+
InChIKeyPSTPFUARFJPFCW-LZYBPNLTSA-N
MW348.38 g/mol
LogP1.44
Rot. Bonds7

About 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135510511) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135510511
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)nc(SCC(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C15H16N4O4S/c1-22-13-7-14(23-2)18-15(17-13)24-9-12(21)19-16-8-10-3-5-11(20)6-4-10/h3-8,20H,9H2,1-2H3,(H,19,21)/b16-8+
InChIKeyPSTPFUARFJPFCW-LZYBPNLTSA-N
XLogP1.44
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
CID 3653479
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-yl]oxyacetamide
CID 135607054
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866780
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6371276
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51432860
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6029033
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
methyl 4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate
CID 5400623

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135510511) is 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is COc1cc(OC)nc(SCC(=O)N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is PSTPFUARFJPFCW-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-22-13-7-14(23-2)18-15(17-13)24-9-12(21)19-16-8-10-3-5-11(20)6-4-10/h3-8,20H,9H2,1-2H3,(H,19,21)/b16-8+.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 348.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).