N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

C20H21ClN4O4S2 — CID 53106184

About N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 53106184) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• PubChem CID: 53106184
• Molecular Formula: C20H21ClN4O4S2
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.07
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• SMILES: CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ccc21
• InChI: InChI=1S/C20H21ClN4O4S2/c1-2-25-16-5-4-15(11-17(16)30-20(25)27)31(28,29)24-9-7-13(8-10-24)19(26)23-18-6-3-14(21)12-22-18/h3-6,11-13H,2,7-10H2,1H3,(H,22,23,26)
• InChIKey: WYZXALRKYDSNKR-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 53106184) is N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ccc21.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The InChIKey is WYZXALRKYDSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-2-25-16-5-4-15(11-17(16)30-20(25)27)31(28,29)24-9-7-13(8-10-24)19(26)23-18-6-3-14(21)12-22-18/h3-6,11-13H,2,7-10H2,1H3,(H,22,23,26).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53106184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).