N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide

C20H18ClN5O4S2 — CID 68916926

About N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide

N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide (PubChem CID 68916926) has the molecular formula C20H18ClN5O4S2 and a molecular weight of 491.98 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide
• PubChem CID: 68916926
• Molecular Formula: C20H18ClN5O4S2
• Molecular Weight: 491.98 g/mol
• Exact Mass: 491.05
• IUPAC Name: N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide
• SMILES: CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)C3)nc2C)o1
• InChI: InChI=1S/C20H18ClN5O4S2/c1-3-14-8-23-20(30-14)15-6-12(7-22)18(24-11(15)2)26-9-13(10-26)19(27)25-32(28,29)17-5-4-16(21)31-17/h4-6,8,13H,3,9-10H2,1-2H3,(H,25,27)
• InChIKey: DQLKCWKKVZXRJB-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 129.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.98
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?

The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide (CID 68916926) is N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide.

What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?

The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide is CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)C3)nc2C)o1.

What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?

The InChIKey is DQLKCWKKVZXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4S2/c1-3-14-8-23-20(30-14)15-6-12(7-22)18(24-11(15)2)26-9-13(10-26)19(27)25-32(28,29)17-5-4-16(21)31-17/h4-6,8,13H,3,9-10H2,1-2H3,(H,25,27).

What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?

N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide has a molecular weight of 491.98 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide is sourced from PubChem (CID 68916926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).