2-(3-acetylphenyl)sulfanyl-N-methylacetamide

C11H13NO2S — CID 64660516

IUPAC2-(3-acetylphenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(C(C)=O)c1
InChIInChI=1S/C11H13NO2S/c1-8(13)9-4-3-5-10(6-9)15-7-11(14)12-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyINOUPQSQFZHPIW-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-acetylphenyl)sulfanyl-N-methylacetamide

2-(3-acetylphenyl)sulfanyl-N-methylacetamide (PubChem CID 64660516) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(3-acetylphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)sulfanyl-N-methylacetamide
PubChem CID64660516
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(3-acetylphenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(C(C)=O)c1
InChIInChI=1S/C11H13NO2S/c1-8(13)9-4-3-5-10(6-9)15-7-11(14)12-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyINOUPQSQFZHPIW-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]ethanone
CID 64661289
2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66356193
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
CID 64662744
2-(3-acetylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 64663107
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
1-(3-butylsulfanylphenyl)ethanone
CID 64663308
1-[3-(3-fluoropropylsulfanyl)phenyl]ethanone
CID 81114648
1-(3-but-2-ynylsulfanylphenyl)ethanone
CID 64661103
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
1-(3-dodecylsulfanylphenyl)ethanone
CID 134942780
1-[3-(2-methylsulfonylethylsulfanyl)phenyl]ethanone
CID 64662700
1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone
CID 114934300

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(3-acetylphenyl)sulfanyl-N-methylacetamide (CID 64660516) is 2-(3-acetylphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(3-acetylphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(3-acetylphenyl)sulfanyl-N-methylacetamide is CNC(=O)CSc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenyl)sulfanyl-N-methylacetamide?
The InChIKey is INOUPQSQFZHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(13)9-4-3-5-10(6-9)15-7-11(14)12-2/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-(3-acetylphenyl)sulfanyl-N-methylacetamide?
2-(3-acetylphenyl)sulfanyl-N-methylacetamide has a molecular weight of 223.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 64660516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).