N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide

C13H17NO5S — CID 7090744

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(7-11)19-8-13(15)14-10-5-6-20(16,17)9-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyJAWPTPACGBCICF-SNVBAGLBSA-N
MW299.35 g/mol
LogP0.38
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 7090744) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
PubChem CID7090744
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(7-11)19-8-13(15)14-10-5-6-20(16,17)9-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyJAWPTPACGBCICF-SNVBAGLBSA-N
XLogP0.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
N-(1,1-dioxothiolan-3-yl)-2-(3-hexoxyphenoxy)acetamide
CID 4733336
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172
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
methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803774
O-(3-methoxyphenyl) N-(1,1-dioxothiolan-3-yl)carbamothioate
CID 102566974
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 7090839
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide (CID 7090744) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is JAWPTPACGBCICF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(7-11)19-8-13(15)14-10-5-6-20(16,17)9-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 299.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 7090744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).