2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide

C17H23NO5S — CID 55327740

IUPAC2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(C(C)=O)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO5S/c1-3-9-18(15-8-10-24(21,22)12-15)17(20)11-23-16-6-4-14(5-7-16)13(2)19/h4-7,15H,3,8-12H2,1-2H3
InChIKeyJHTLDFYVXQMCIF-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.69
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide

2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide (PubChem CID 55327740) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
PubChem CID55327740
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(C(C)=O)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO5S/c1-3-9-18(15-8-10-24(21,22)12-15)17(20)11-23-16-6-4-14(5-7-16)13(2)19/h4-7,15H,3,8-12H2,1-2H3
InChIKeyJHTLDFYVXQMCIF-UHFFFAOYSA-N
XLogP1.69
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide 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-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 55530189
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxyphenyl)-N-propylacetamide
CID 78789041
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-propan-2-ylphenoxy)-N-propylacetamide
CID 78767804
[2-[(1,1-dioxothiolan-3-yl)-propylamino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 16533866
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 78767226
N-butyl-2-(4-cyclohexylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40722854
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16540663
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7986144
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390910
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-ethoxyphenyl)-1-propylthiourea
CID 8683186

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide (CID 55327740) is 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide is CCCN(C(=O)COc1ccc(C(C)=O)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
The InChIKey is JHTLDFYVXQMCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5S/c1-3-9-18(15-8-10-24(21,22)12-15)17(20)11-23-16-6-4-14(5-7-16)13(2)19/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide?
2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide has a molecular weight of 353.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide is sourced from PubChem (CID 55327740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).