2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide

C13H17NO4S — CID 64795292

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
SMILESCc1c(O)cccc1NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO4S/c1-9-11(3-2-4-12(9)15)14-13(16)7-10-5-6-19(17,18)8-10/h2-4,10,15H,5-8H2,1H3,(H,14,16)
InChIKeyHVZDAAKGAJJAIA-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.46
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide (PubChem CID 64795292) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
PubChem CID64795292
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
SMILESCc1c(O)cccc1NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO4S/c1-9-11(3-2-4-12(9)15)14-13(16)7-10-5-6-19(17,18)8-10/h2-4,10,15H,5-8H2,1H3,(H,14,16)
InChIKeyHVZDAAKGAJJAIA-UHFFFAOYSA-N
XLogP1.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834709
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620362
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620361
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 7070783
N-(5-bromo-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 43806574
N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408989
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95981194
N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 16590105
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
N-(2,4-difluorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9209582
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)acetamide
CID 9046010

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide (CID 64795292) is 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide is Cc1c(O)cccc1NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide?
The InChIKey is HVZDAAKGAJJAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-11(3-2-4-12(9)15)14-13(16)7-10-5-6-19(17,18)8-10/h2-4,10,15H,5-8H2,1H3,(H,14,16).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide is sourced from PubChem (CID 64795292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).