9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C20H21FN4O4S — CID 134079584

About 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 134079584) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 134079584
• Molecular Formula: C20H21FN4O4S
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.13
• IUPAC Name: 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: O=C(NCc1ccncc1)C1=NOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1
• InChI: InChI=1S/C20H21FN4O4S/c21-16-4-1-2-5-18(16)30(27,28)25-11-3-8-20(14-25)12-17(24-29-20)19(26)23-13-15-6-9-22-10-7-15/h1-2,4-7,9-10H,3,8,11-14H2,(H,23,26)
• InChIKey: LVYIYGCGSDUAED-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 100.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 134079584) is 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCc1ccncc1)C1=NOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1.

What is the InChIKey of 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is LVYIYGCGSDUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c21-16-4-1-2-5-18(16)30(27,28)25-11-3-8-20(14-25)12-17(24-29-20)19(26)23-13-15-6-9-22-10-7-15/h1-2,4-7,9-10H,3,8,11-14H2,(H,23,26).

What are the key properties of 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 134079584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).