2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide

C14H18N2O5S — CID 18870054

IUPAC2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-11-3-2-4-13(7-11)21-8-14(18)16-12-5-6-22(19,20)9-12/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyUFTWWAGQQATZQJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.33
Rot. Bonds5

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

2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 18870054) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID18870054
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-11-3-2-4-13(7-11)21-8-14(18)16-12-5-6-22(19,20)9-12/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyUFTWWAGQQATZQJ-UHFFFAOYSA-N
XLogP0.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
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
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172
N-(1,1-dioxothiolan-3-yl)-2-(3-hexoxyphenoxy)acetamide
CID 4733336
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-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27710023
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803774
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
2-[3-[(1,1-dioxothian-3-yl)amino]phenoxy]-N-methylacetamide
CID 63911838
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[2-oxo-2-(3-phenoxyanilino)ethyl]amino]acetamide
CID 55849999

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 18870054) is 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)Nc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UFTWWAGQQATZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-10(17)15-11-3-2-4-13(7-11)21-8-14(18)16-12-5-6-22(19,20)9-12/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 326.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 18870054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).