N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C23H26N4O5S — CID 135603356

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)o2)cc1C
InChIInChI=1S/C23H26N4O5S/c1-15-11-16(8-10-19(15)30-2)5-4-6-22-26-27-23(32-22)33-14-21(29)25-24-13-17-7-9-18(28)20(12-17)31-3/h7-13,28H,4-6,14H2,1-3H3,(H,25,29)/b24-13+
InChIKeyFIZWIBQQJLGGRU-ZMOGYAJESA-N
MW470.55 g/mol
LogP3.52
Rot. Bonds11

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 135603356) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID135603356
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)o2)cc1C
InChIInChI=1S/C23H26N4O5S/c1-15-11-16(8-10-19(15)30-2)5-4-6-22-26-27-23(32-22)33-14-21(29)25-24-13-17-7-9-18(28)20(12-17)31-3/h7-13,28H,4-6,14H2,1-3H3,(H,25,29)/b24-13+
InChIKeyFIZWIBQQJLGGRU-ZMOGYAJESA-N
XLogP3.52
TPSA119.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4046923
2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 126019529
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135679399
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 137168706
2-[4-[[[2-[[5-[3-(4-methoxy-2-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5228130
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137172339
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 135597835
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866780
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-(5-chloro-2-methoxyphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126019979
2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153891

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 135603356) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)o2)cc1C.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is FIZWIBQQJLGGRU-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15-11-16(8-10-19(15)30-2)5-4-6-22-26-27-23(32-22)33-14-21(29)25-24-13-17-7-9-18(28)20(12-17)31-3/h7-13,28H,4-6,14H2,1-3H3,(H,25,29)/b24-13+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135603356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).