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

C21H21Cl2N3O4S — CID 41344114

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

2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 41344114) has the molecular formula C21H21Cl2N3O4S and a molecular weight of 482.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
• PubChem CID: 41344114
• Molecular Formula: C21H21Cl2N3O4S
• Molecular Weight: 482.39 g/mol
• Exact Mass: 481.06
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
• SMILES: CN(C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCCO3
• InChI: InChI=1S/C21H21Cl2N3O4S/c1-25(2)5-6-26(20(27)12-30-16-4-3-13(22)9-14(16)23)21-24-15-10-17-18(11-19(15)31-21)29-8-7-28-17/h3-4,9-11H,5-8,12H2,1-2H3
• InChIKey: POMRWNCPMHFKQG-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.39
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 41344114) is 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCCO3.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?

The InChIKey is POMRWNCPMHFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4S/c1-25(2)5-6-26(20(27)12-30-16-4-3-13(22)9-14(16)23)21-24-15-10-17-18(11-19(15)31-21)29-8-7-28-17/h3-4,9-11H,5-8,12H2,1-2H3.

What are the key properties of 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?

2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 482.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 41344114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).