1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C21H23Cl2N5O4S2 — CID 11656798

About 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 11656798) has the molecular formula C21H23Cl2N5O4S2 and a molecular weight of 544.49 g/mol. Its IUPAC name is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
• PubChem CID: 11656798
• Molecular Formula: C21H23Cl2N5O4S2
• Molecular Weight: 544.49 g/mol
• Exact Mass: 543.06
• IUPAC Name: 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
• SMILES: CCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2NC)o1
• InChI: InChI=1S/C21H23Cl2N5O4S2/c1-3-13-11-25-21(32-13)14-10-15(22)19(26-18(14)24-2)28-8-6-12(7-9-28)20(29)27-34(30,31)17-5-4-16(23)33-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,24,26)(H,27,29)
• InChIKey: MXXJAGIMRLDJFK-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.49
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

The IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 11656798) is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

The canonical SMILES for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is CCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2NC)o1.

What is the InChIKey of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

The InChIKey is MXXJAGIMRLDJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O4S2/c1-3-13-11-25-21(32-13)14-10-15(22)19(26-18(14)24-2)28-8-6-12(7-9-28)20(29)27-34(30,31)17-5-4-16(23)33-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,24,26)(H,27,29).

What are the key properties of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 544.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11656798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).