1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

C24H29N3O4S2 — CID 53106236

About 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 53106236) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
• PubChem CID: 53106236
• Molecular Formula: C24H29N3O4S2
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.16
• IUPAC Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
• SMILES: CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCC(C)c4ccccc4)CC3)ccc21
• InChI: InChI=1S/C24H29N3O4S2/c1-3-27-21-10-9-20(15-22(21)32-24(27)29)33(30,31)26-13-11-19(12-14-26)23(28)25-16-17(2)18-7-5-4-6-8-18/h4-10,15,17,19H,3,11-14,16H2,1-2H3,(H,25,28)
• InChIKey: WNOGGWZQGIQISG-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 88.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?

The IUPAC name of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 53106236) is 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCC(C)c4ccccc4)CC3)ccc21.

What is the InChIKey of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?

The InChIKey is WNOGGWZQGIQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-3-27-21-10-9-20(15-22(21)32-24(27)29)33(30,31)26-13-11-19(12-14-26)23(28)25-16-17(2)18-7-5-4-6-8-18/h4-10,15,17,19H,3,11-14,16H2,1-2H3,(H,25,28).

What are the key properties of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53106236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).