2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C20H20Cl2N2O3S — CID 989308

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20Cl2N2O3S/c21-16-5-3-6-17(22)15(16)12-28-13-19(25)23-18-7-2-1-4-14(18)20(26)24-8-10-27-11-9-24/h1-7H,8-13H2,(H,23,25)
InChIKeyXPZPSMMIFYKQEJ-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.34
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 989308) has the molecular formula C20H20Cl2N2O3S and a molecular weight of 439.36 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID989308
Molecular FormulaC20H20Cl2N2O3S
Molecular Weight439.36 g/mol
Exact Mass438.06
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20Cl2N2O3S/c21-16-5-3-6-17(22)15(16)12-28-13-19(25)23-18-7-2-1-4-14(18)20(26)24-8-10-27-11-9-24/h1-7H,8-13H2,(H,23,25)
InChIKeyXPZPSMMIFYKQEJ-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 989308) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is XPZPSMMIFYKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3S/c21-16-5-3-6-17(22)15(16)12-28-13-19(25)23-18-7-2-1-4-14(18)20(26)24-8-10-27-11-9-24/h1-7H,8-13H2,(H,23,25).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 439.36 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 989308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).