N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide

C17H19N3O2S — CID 2339953

IUPACN-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O2S/c21-16(13-23-17-3-1-2-8-18-17)19-14-4-6-15(7-5-14)20-9-11-22-12-10-20/h1-8H,9-13H2,(H,19,21)
InChIKeyMZEXDLWWLVOXMC-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.65
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2339953) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2339953
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O2S/c21-16(13-23-17-3-1-2-8-18-17)19-14-4-6-15(7-5-14)20-9-11-22-12-10-20/h1-8H,9-13H2,(H,19,21)
InChIKeyMZEXDLWWLVOXMC-UHFFFAOYSA-N
XLogP2.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 2339953) is N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is MZEXDLWWLVOXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(13-23-17-3-1-2-8-18-17)19-14-4-6-15(7-5-14)20-9-11-22-12-10-20/h1-8H,9-13H2,(H,19,21).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 329.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2339953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).