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

C24H27N3O5S2 — CID 53106352

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

N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 53106352) has the molecular formula C24H27N3O5S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• PubChem CID: 53106352
• Molecular Formula: C24H27N3O5S2
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.14
• IUPAC Name: N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• SMILES: CCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)ccc21
• InChI: InChI=1S/C24H27N3O5S2/c1-3-11-27-21-8-7-20(15-22(21)33-24(27)30)34(31,32)26-12-9-17(10-13-26)23(29)25-19-6-4-5-18(14-19)16(2)28/h4-8,14-15,17H,3,9-13H2,1-2H3,(H,25,29)
• InChIKey: VJPXBAMSKYUFBM-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 105.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 53106352) is N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is CCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)ccc21.

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

The InChIKey is VJPXBAMSKYUFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S2/c1-3-11-27-21-8-7-20(15-22(21)33-24(27)30)34(31,32)26-12-9-17(10-13-26)23(29)25-19-6-4-5-18(14-19)16(2)28/h4-8,14-15,17H,3,9-13H2,1-2H3,(H,25,29).

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

N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53106352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).