N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide

C18H19FN2O2S — CID 3753436

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H19FN2O2S/c19-16-12-14(6-7-17(16)21-8-10-23-11-9-21)20-18(22)13-24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyVTGMKXSVBJZRFY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.39
Rot. Bonds5

About N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide (PubChem CID 3753436) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
PubChem CID3753436
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H19FN2O2S/c19-16-12-14(6-7-17(16)21-8-10-23-11-9-21)20-18(22)13-24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyVTGMKXSVBJZRFY-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide (CID 3753436) is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is VTGMKXSVBJZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-16-12-14(6-7-17(16)21-8-10-23-11-9-21)20-18(22)13-24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 346.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 3753436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).