2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C20H27N5O4S — CID 91924963

About 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924963) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 91924963
• Molecular Formula: C20H27N5O4S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.18
• IUPAC Name: 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: Cn1cnc(S(=O)(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)c1
• InChI: InChI=1S/C20H27N5O4S/c1-24-13-18(23-15-24)30(27,28)25-12-17(20(14-25)5-10-29-11-6-20)19(26)22-9-4-16-2-7-21-8-3-16/h2-3,7-8,13,15,17H,4-6,9-12,14H2,1H3,(H,22,26)
• InChIKey: MAZGFHFSCMPBPV-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924963) is 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cn1cnc(S(=O)(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)c1.

What is the InChIKey of 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is MAZGFHFSCMPBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-24-13-18(23-15-24)30(27,28)25-12-17(20(14-25)5-10-29-11-6-20)19(26)22-9-4-16-2-7-21-8-3-16/h2-3,7-8,13,15,17H,4-6,9-12,14H2,1H3,(H,22,26).

What are the key properties of 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).