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

C19H17N3O4S — CID 18196064

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

4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide (PubChem CID 18196064) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
• PubChem CID: 18196064
• Molecular Formula: C19H17N3O4S
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.09
• IUPAC Name: 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
• SMILES: CC(=O)NCc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1
• InChI: InChI=1S/C19H17N3O4S/c1-11(23)20-10-12-2-4-13(5-3-12)18(24)22-19-21-14-8-15-16(9-17(14)27-19)26-7-6-25-15/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)(H,21,22,24)
• InChIKey: SHPXCLCVGRARGN-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide (CID 18196064) is 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide.

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

The canonical SMILES for 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1.

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

The InChIKey is SHPXCLCVGRARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-11(23)20-10-12-2-4-13(5-3-12)18(24)22-19-21-14-8-15-16(9-17(14)27-19)26-7-6-25-15/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)(H,21,22,24).

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

4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 383.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(acetamidomethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 18196064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).