N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide

C18H16N2O5S — CID 2382005

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1
InChIInChI=1S/C18H16N2O5S/c1-22-11-2-4-12(5-3-11)25-10-17(21)20-18-19-13-8-14-15(9-16(13)26-18)24-7-6-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,20,21)
InChIKeyVFBDQOJTHJYUJV-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.09
Rot. Bonds5

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 2382005) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID2382005
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1
InChIInChI=1S/C18H16N2O5S/c1-22-11-2-4-12(5-3-11)25-10-17(21)20-18-19-13-8-14-15(9-16(13)26-18)24-7-6-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,20,21)
InChIKeyVFBDQOJTHJYUJV-UHFFFAOYSA-N
XLogP3.09
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)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-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 2382005) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is VFBDQOJTHJYUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-22-11-2-4-12(5-3-11)25-10-17(21)20-18-19-13-8-14-15(9-16(13)26-18)24-7-6-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,20,21).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 372.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 2382005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).