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

C18H20N2O2S — CID 2091613

IUPACN-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H20N2O2S/c21-18(14-23-15-6-2-1-3-7-15)19-16-8-4-5-9-17(16)20-10-12-22-13-11-20/h1-9H,10-14H2,(H,19,21)
InChIKeyPTMHELPHJDFXKQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.25
Rot. Bonds5

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

N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide (PubChem CID 2091613) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
PubChem CID2091613
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H20N2O2S/c21-18(14-23-15-6-2-1-3-7-15)19-16-8-4-5-9-17(16)20-10-12-22-13-11-20/h1-9H,10-14H2,(H,19,21)
InChIKeyPTMHELPHJDFXKQ-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide (CID 2091613) is N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is PTMHELPHJDFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(14-23-15-6-2-1-3-7-15)19-16-8-4-5-9-17(16)20-10-12-22-13-11-20/h1-9H,10-14H2,(H,19,21).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide?
N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2091613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).