2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide

C14H19NO4S — CID 16544779

IUPAC2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H19NO4S/c1-10-3-4-11(2)13(7-10)19-8-14(16)15-12-5-6-20(17,18)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyAQAJNZVXLKDFPQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.99
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 16544779) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID16544779
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H19NO4S/c1-10-3-4-11(2)13(7-10)19-8-14(16)15-12-5-6-20(17,18)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyAQAJNZVXLKDFPQ-UHFFFAOYSA-N
XLogP0.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
5-(2,5-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]pentanamide
CID 94808949
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(1,1-dioxothiolan-3-yl)acetohydrazide
CID 55395780
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6600182
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 16544779) is 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide is Cc1ccc(C)c(OCC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is AQAJNZVXLKDFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-3-4-11(2)13(7-10)19-8-14(16)15-12-5-6-20(17,18)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 16544779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).