2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide

C20H25N3O2S — CID 2119283

IUPAC2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H25N3O2S/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/h1-9,21H,10-16H2,(H,22,24)
InChIKeyFLVHVDXTOAKERD-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.70
Rot. Bonds8

About 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide

2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2119283) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2119283
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H25N3O2S/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/h1-9,21H,10-16H2,(H,22,24)
InChIKeyFLVHVDXTOAKERD-UHFFFAOYSA-N
XLogP2.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide (CID 2119283) is 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide is O=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is FLVHVDXTOAKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/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/h1-9,21H,10-16H2,(H,22,24).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide?
2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2119283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).