2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid

C22H27N3O6S — CID 15944936

IUPAC2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
SMILESO=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H25N3O2S.C2H2O4/c24-20(16-21-10-11-23-12-14-25-15-13-23)22-18-8-4-5-9-19(18)26-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,21H,10-16H2,(H,22,24);(H,3,4)(H,5,6)
InChIKeyPWVGWFXFRRFYAB-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.85
Rot. Bonds8

About 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid

2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid (PubChem CID 15944936) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
PubChem CID15944936
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid
SMILESO=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H25N3O2S.C2H2O4/c24-20(16-21-10-11-23-12-14-25-15-13-23)22-18-8-4-5-9-19(18)26-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,21H,10-16H2,(H,22,24);(H,3,4)(H,5,6)
InChIKeyPWVGWFXFRRFYAB-UHFFFAOYSA-N
XLogP1.85
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid (CID 15944936) is 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid is O=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
The InChIKey is PWVGWFXFRRFYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.C2H2O4/c24-20(16-21-10-11-23-12-14-25-15-13-23)22-18-8-4-5-9-19(18)26-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,21H,10-16H2,(H,22,24);(H,3,4)(H,5,6).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid?
2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid has a molecular weight of 461.54 g/mol, XLogP of 1.85, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 15944936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).