N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide

C18H19NO5S — CID 3129052

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO5S/c20-18(19-14-10-11-25(21,22)13-14)12-23-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,19,20)
InChIKeyBZRMVXHGCADQFR-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.16
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide (PubChem CID 3129052) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide
PubChem CID3129052
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO5S/c20-18(19-14-10-11-25(21,22)13-14)12-23-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,19,20)
InChIKeyBZRMVXHGCADQFR-UHFFFAOYSA-N
XLogP2.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide (CID 3129052) is N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide is O=C(COc1ccc(Oc2ccccc2)cc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is BZRMVXHGCADQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c20-18(19-14-10-11-25(21,22)13-14)12-23-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,19,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 361.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 3129052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).