N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide

C17H18N2O3S — CID 135401386

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1O
InChIInChI=1S/C17H18N2O3S/c1-12-6-3-4-9-15(12)23-11-16(20)19-18-10-13-7-5-8-14(22-2)17(13)21/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+
InChIKeySWKRNLPZWKDQIV-VCHYOVAHSA-N
MW330.41 g/mol
LogP2.95
Rot. Bonds6

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 135401386) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID135401386
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1O
InChIInChI=1S/C17H18N2O3S/c1-12-6-3-4-9-15(12)23-11-16(20)19-18-10-13-7-5-8-14(22-2)17(13)21/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+
InChIKeySWKRNLPZWKDQIV-VCHYOVAHSA-N
XLogP2.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.95
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'-(3,4-dimethoxybenzylidene)-2-(phenylsulfanyl)acetohydrazide
CID 9564895
N'-(2,3-dimethoxybenzylidene)-2-[(2-methylphenyl)sulfanyl]acetohydrazide
CID 9563347
N'-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide
CID 135422663
N,N'-bis[(E)-(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
CID 135460566
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 606297
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 9592868
N'-[(1E)-(2-methoxyphenyl)methylene]-3-(phenylthio)propanohydrazide
CID 9615853
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135501985
Phenyl-thioacetic acid [1-(2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029180
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
CID 135679275
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 49835094

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide (CID 135401386) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide is COc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is SWKRNLPZWKDQIV-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-6-3-4-9-15(12)23-11-16(20)19-18-10-13-7-5-8-14(22-2)17(13)21/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 135401386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).