N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide

C18H19ClN2O2S — CID 2091420

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c19-14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)20-18(22)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyGAEDELVKKHGNDT-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide (PubChem CID 2091420) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
PubChem CID2091420
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c19-14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)20-18(22)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyGAEDELVKKHGNDT-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide (CID 2091420) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide?
The InChIKey is GAEDELVKKHGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)20-18(22)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide has a molecular weight of 362.88 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2091420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).