4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide

C23H25N3O5S2 — CID 43946963

About 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide (PubChem CID 43946963) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
• PubChem CID: 43946963
• Molecular Formula: C23H25N3O5S2
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.12
• IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
• SMILES: CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)cc1
• InChI: InChI=1S/C23H25N3O5S2/c1-3-16-6-4-5-11-26(16)33(28,29)17-9-7-15(8-10-17)22(27)24-23-25(2)18-12-19-20(31-14-30-19)13-21(18)32-23/h7-10,12-13,16H,3-6,11,14H2,1-2H3/b24-23-
• InChIKey: STXUCIYEWMGYGG-VHXPQNKSSA-N
• XLogP: 3.66
• TPSA: 90.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide?

The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide (CID 43946963) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide.

What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide?

The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)cc1.

What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide?

The InChIKey is STXUCIYEWMGYGG-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-3-16-6-4-5-11-26(16)33(28,29)17-9-7-15(8-10-17)22(27)24-23-25(2)18-12-19-20(31-14-30-19)13-21(18)32-23/h7-10,12-13,16H,3-6,11,14H2,1-2H3/b24-23-.

What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide?

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide has a molecular weight of 487.60 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is sourced from PubChem (CID 43946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).