1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C22H24ClN5O5S2 — CID 68911584

About 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 68911584) has the molecular formula C22H24ClN5O5S2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
• PubChem CID: 68911584
• Molecular Formula: C22H24ClN5O5S2
• Molecular Weight: 538.05 g/mol
• Exact Mass: 537.09
• IUPAC Name: 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
• SMILES: CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(NC(C)=O)c2)o1
• InChI: InChI=1S/C22H24ClN5O5S2/c1-3-16-12-25-22(33-16)15-10-17(26-13(2)29)20(24-11-15)28-8-6-14(7-9-28)21(30)27-35(31,32)19-5-4-18(23)34-19/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,26,29)(H,27,30)
• InChIKey: HNMVRGMXVDIVNB-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 134.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.05
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

The IUPAC name of 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 68911584) is 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

The canonical SMILES for 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(NC(C)=O)c2)o1.

What is the InChIKey of 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

The InChIKey is HNMVRGMXVDIVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O5S2/c1-3-16-12-25-22(33-16)15-10-17(26-13(2)29)20(24-11-15)28-8-6-14(7-9-28)21(30)27-35(31,32)19-5-4-18(23)34-19/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,26,29)(H,27,30).

What are the key properties of 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 538.05 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 68911584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).