N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

C15H21N3O2S — CID 792193

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESCCOc1ccc(C=NNC(=O)CN2CCSCC2)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-20-14-5-3-13(4-6-14)11-16-17-15(19)12-18-7-9-21-10-8-18/h3-6,11H,2,7-10,12H2,1H3,(H,17,19)
InChIKeyOCRDUIJYEBHFNP-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.58
Rot. Bonds6

About N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (PubChem CID 792193) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
PubChem CID792193
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESCCOc1ccc(C=NNC(=O)CN2CCSCC2)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-20-14-5-3-13(4-6-14)11-16-17-15(19)12-18-7-9-21-10-8-18/h3-6,11H,2,7-10,12H2,1H3,(H,17,19)
InChIKeyOCRDUIJYEBHFNP-UHFFFAOYSA-N
XLogP1.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.58
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-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5406294
N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697334
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (CID 792193) is N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is CCOc1ccc(C=NNC(=O)CN2CCSCC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The InChIKey is OCRDUIJYEBHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-20-14-5-3-13(4-6-14)11-16-17-15(19)12-18-7-9-21-10-8-18/h3-6,11H,2,7-10,12H2,1H3,(H,17,19).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide has a molecular weight of 307.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).