N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide

C23H28N4O5S2 — CID 41043781

About N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide (PubChem CID 41043781) has the molecular formula C23H28N4O5S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide.

Molecular Properties

• Compound Name: N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
• PubChem CID: 41043781
• Molecular Formula: C23H28N4O5S2
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.15
• IUPAC Name: N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
• SMILES: CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)cc1
• InChI: InChI=1S/C23H28N4O5S2/c1-4-16-7-5-6-14-27(16)34(29,30)17-10-8-15(9-11-17)22(28)25-26-23-24-20-18(31-2)12-13-19(32-3)21(20)33-23/h8-13,16H,4-7,14H2,1-3H3,(H,24,26)(H,25,28)/t16-/m1/s1
• InChIKey: BHDJQGYOFHYKDS-MRXNPFEDSA-N
• XLogP: 4.02
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide?

The IUPAC name of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide (CID 41043781) is N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide.

What is the SMILES notation for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide?

The canonical SMILES for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)cc1.

What is the InChIKey of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide?

The InChIKey is BHDJQGYOFHYKDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N4O5S2/c1-4-16-7-5-6-14-27(16)34(29,30)17-10-8-15(9-11-17)22(28)25-26-23-24-20-18(31-2)12-13-19(32-3)21(20)33-23/h8-13,16H,4-7,14H2,1-3H3,(H,24,26)(H,25,28)/t16-/m1/s1.

What are the key properties of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide?

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide has a molecular weight of 504.63 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide is sourced from PubChem (CID 41043781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).