N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide

C21H26N2O2S — CID 2862865

IUPACN-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCCN1CCOCC1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-21(22-12-7-13-23-14-16-25-17-15-23)20(18-8-3-1-4-9-18)26-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)
InChIKeyCDBZXUSUXGQJAO-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.36
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide

N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2862865) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2862865
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCCN1CCOCC1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-21(22-12-7-13-23-14-16-25-17-15-23)20(18-8-3-1-4-9-18)26-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)
InChIKeyCDBZXUSUXGQJAO-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2862865) is N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(NCCCN1CCOCC1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is CDBZXUSUXGQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-21(22-12-7-13-23-14-16-25-17-15-23)20(18-8-3-1-4-9-18)26-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2862865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).