N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

C17H18N2O3S — CID 135422663

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CSCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-15-8-6-13(7-9-15)11-23-12-17(21)19-18-10-14-4-2-3-5-16(14)20/h2-10,20H,11-12H2,1H3,(H,19,21)/b18-10+
InChIKeyGUZWKTOEQLXTFI-VCHYOVAHSA-N
MW330.41 g/mol
LogP2.78
Rot. Bonds7

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 135422663) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID135422663
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CSCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-15-8-6-13(7-9-15)11-23-12-17(21)19-18-10-14-4-2-3-5-16(14)20/h2-10,20H,11-12H2,1H3,(H,19,21)/b18-10+
InChIKeyGUZWKTOEQLXTFI-VCHYOVAHSA-N
XLogP2.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.78
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

N'-(3-ethoxy-4-hydroxybenzylidene)-2-(phenylsulfanyl)propanohydrazide
CID 135444113
N'-[(E)-(2-Hydroxy-3-methoxyphenyl)methylidene]-2-[(2-methylphenyl)sulfanyl]acetohydrazide
CID 135401386
N'-(3,4-dimethoxybenzylidene)-2-(phenylsulfanyl)acetohydrazide
CID 9564895
N'-[2-(benzyloxy)benzylidene]-2-(benzylthio)acetohydrazide
CID 5334383
N'-(2,3-dimethoxybenzylidene)-2-[(2-methylphenyl)sulfanyl]acetohydrazide
CID 9563347
N'-(2-hydroxybenzylidene)-2-(phenylthio)acetohydrazide
CID 135422710
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dithiane-2-carboxamide
CID 135520023
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)sulfanyl]propanehydrazide
CID 135521601
N-[(2-hydroxyphenyl)methylideneamino]-2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 232434
N-[(2-hydroxyphenyl)methylideneamino]-3-[3-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 232436
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 606297
N'-(4-methoxy-3-methylbenzylidene)-2-(4-thiomorpholinyl)acetohydrazide
CID 5338405

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (CID 135422663) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is COc1ccc(CSCC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is GUZWKTOEQLXTFI-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-22-15-8-6-13(7-9-15)11-23-12-17(21)19-18-10-14-4-2-3-5-16(14)20/h2-10,20H,11-12H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 135422663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).