N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide

C14H18N2O2S — CID 66288630

IUPACN-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CSCC1CNC1
InChIInChI=1S/C14H18N2O2S/c1-10(17)12-4-2-3-5-13(12)16-14(18)9-19-8-11-6-15-7-11/h2-5,11,15H,6-9H2,1H3,(H,16,18)
InChIKeyXQFZVYJGCQCHOJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.78
Rot. Bonds6

About N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide

N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide (PubChem CID 66288630) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
PubChem CID66288630
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CSCC1CNC1
InChIInChI=1S/C14H18N2O2S/c1-10(17)12-4-2-3-5-13(12)16-14(18)9-19-8-11-6-15-7-11/h2-5,11,15H,6-9H2,1H3,(H,16,18)
InChIKeyXQFZVYJGCQCHOJ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
CID 8604583
N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
CID 82182065
N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
CID 66289888
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468515
1-[2-[2-(azetidin-3-ylmethylsulfanyl)ethoxy]phenyl]ethanone
CID 66290961
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 2561582
2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
CID 66289497
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide (CID 66288630) is N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide is CC(=O)c1ccccc1NC(=O)CSCC1CNC1.
What is the InChIKey of N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide?
The InChIKey is XQFZVYJGCQCHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(17)12-4-2-3-5-13(12)16-14(18)9-19-8-11-6-15-7-11/h2-5,11,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide?
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 66288630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).