N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

C16H23N3O2S — CID 5338404

IUPACN-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCSCC2)c(C)c1C
InChIInChI=1S/C16H23N3O2S/c1-12-13(2)15(21-3)5-4-14(12)10-17-18-16(20)11-19-6-8-22-9-7-19/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)/b17-10+
InChIKeyYALDHYIXHNJJJF-LICLKQGHSA-N
MW321.45 g/mol
LogP1.81
Rot. Bonds5

About N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (PubChem CID 5338404) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
PubChem CID5338404
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCSCC2)c(C)c1C
InChIInChI=1S/C16H23N3O2S/c1-12-13(2)15(21-3)5-4-14(12)10-17-18-16(20)11-19-6-8-22-9-7-19/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)/b17-10+
InChIKeyYALDHYIXHNJJJF-LICLKQGHSA-N
XLogP1.81
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
2-(azepan-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 5338398
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 667965
2-(azocan-1-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5338397
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 3643397
2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide
CID 4980965
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406502
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 788742
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (CID 5338404) is N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is COc1ccc(/C=N/NC(=O)CN2CCSCC2)c(C)c1C.
What is the InChIKey of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The InChIKey is YALDHYIXHNJJJF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-13(2)15(21-3)5-4-14(12)10-17-18-16(20)11-19-6-8-22-9-7-19/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide has a molecular weight of 321.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 5338404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).