N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide

C14H18N2O2S — CID 66289888

IUPACN-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
SMILESO=C(CSCC1CNC1)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2S/c17-13(6-11-4-2-1-3-5-11)16-14(18)10-19-9-12-7-15-8-12/h1-5,12,15H,6-10H2,(H,16,17,18)
InChIKeyJIAZOENGRWNADW-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.82
Rot. Bonds6

About N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide

N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide (PubChem CID 66289888) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
PubChem CID66289888
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
SMILESO=C(CSCC1CNC1)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2S/c17-13(6-11-4-2-1-3-5-11)16-14(18)10-19-9-12-7-15-8-12/h1-5,12,15H,6-10H2,(H,16,17,18)
InChIKeyJIAZOENGRWNADW-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-bromobenzamide
CID 66288257
2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
CID 66289497
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707
2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-methyl-3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid
CID 64914908
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66289696
N-[2-[azetidin-3-yl(propyl)amino]acetyl]-2-phenylacetamide
CID 66216125

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide (CID 66289888) is N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide is O=C(CSCC1CNC1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide?
The InChIKey is JIAZOENGRWNADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(6-11-4-2-1-3-5-11)16-14(18)10-19-9-12-7-15-8-12/h1-5,12,15H,6-10H2,(H,16,17,18).
What are the key properties of N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide?
N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide has a molecular weight of 278.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide is sourced from PubChem (CID 66289888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).