N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

C19H21N3OS — CID 5406294

IUPACN-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)N/N=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3OS/c23-19(15-22-10-12-24-13-11-22)21-20-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,21,23)/b20-14-
InChIKeyVUZPADGKGAWIGT-ZHZULCJRSA-N
MW339.46 g/mol
LogP2.85
Rot. Bonds5

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

N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (PubChem CID 5406294) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
PubChem CID5406294
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)N/N=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3OS/c23-19(15-22-10-12-24-13-11-22)21-20-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,21,23)/b20-14-
InChIKeyVUZPADGKGAWIGT-ZHZULCJRSA-N
XLogP2.85
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (CID 5406294) is N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)N/N=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The InChIKey is VUZPADGKGAWIGT-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-19(15-22-10-12-24-13-11-22)21-20-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,21,23)/b20-14-.
What are the key properties of N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide has a molecular weight of 339.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 5406294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).