2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide

C12H14Cl2N2OS — CID 66289696

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSCC1CNC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2OS/c13-9-1-2-10(14)11(3-9)16-12(17)7-18-6-8-4-15-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyRXUQAPZPLMSTEX-UHFFFAOYSA-N
MW305.23 g/mol
LogP2.88
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 66289696) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID66289696
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSCC1CNC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2OS/c13-9-1-2-10(14)11(3-9)16-12(17)7-18-6-8-4-15-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyRXUQAPZPLMSTEX-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783
2-(azetidin-3-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 66289258
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 60972401
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
4-chloro-3-[[2-(cyclopentylmethylsulfanyl)acetyl]amino]benzoic acid
CID 63118862
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63624344
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide (CID 66289696) is 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide is O=C(CSCC1CNC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is RXUQAPZPLMSTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c13-9-1-2-10(14)11(3-9)16-12(17)7-18-6-8-4-15-5-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 305.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 66289696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).