2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide

C19H18Cl2N2O2S — CID 54233724

IUPAC2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)CC1SCc1ccccc1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2S/c20-15-7-6-14(8-16(15)21)10-22-17(24)11-23-18(25)9-19(23)26-12-13-4-2-1-3-5-13/h1-8,19H,9-12H2,(H,22,24)
InChIKeyQLBKEUOZCRKVPU-UHFFFAOYSA-N
MW409.34 g/mol
LogP4.10
Rot. Bonds7

About 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide

2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 54233724) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID54233724
Molecular FormulaC19H18Cl2N2O2S
Molecular Weight409.34 g/mol
Exact Mass408.05
IUPAC Name2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)CC1SCc1ccccc1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2S/c20-15-7-6-14(8-16(15)21)10-22-17(24)11-23-18(25)9-19(23)26-12-13-4-2-1-3-5-13/h1-8,19H,9-12H2,(H,22,24)
InChIKeyQLBKEUOZCRKVPU-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 54233724) is 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(CN1C(=O)CC1SCc1ccccc1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is QLBKEUOZCRKVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c20-15-7-6-14(8-16(15)21)10-22-17(24)11-23-18(25)9-19(23)26-12-13-4-2-1-3-5-13/h1-8,19H,9-12H2,(H,22,24).
What are the key properties of 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 409.34 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 54233724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).