N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C18H18ClFN2O2S — CID 2995805

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2S/c19-16-11-14(3-6-17(16)22-7-9-24-10-8-22)21-18(23)12-25-15-4-1-13(20)2-5-15/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyADKCNFFGGFARHW-UHFFFAOYSA-N
MW380.87 g/mol
LogP4.05
Rot. Bonds5

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2995805) has the molecular formula C18H18ClFN2O2S and a molecular weight of 380.87 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2995805
Molecular FormulaC18H18ClFN2O2S
Molecular Weight380.87 g/mol
Exact Mass380.08
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2S/c19-16-11-14(3-6-17(16)22-7-9-24-10-8-22)21-18(23)12-25-15-4-1-13(20)2-5-15/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyADKCNFFGGFARHW-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 54.05
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-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2995805) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ADKCNFFGGFARHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2S/c19-16-11-14(3-6-17(16)22-7-9-24-10-8-22)21-18(23)12-25-15-4-1-13(20)2-5-15/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 380.87 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2995805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).