8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C24H23N3O3S — CID 67393326

About 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 67393326) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 67393326
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1
• InChI: InChI=1S/C24H23N3O3S/c28-22(25-16-18-7-4-14-31-18)21-15-24(30-26-21)10-12-27(13-11-24)23(29)20-9-3-6-17-5-1-2-8-19(17)20/h1-9,14H,10-13,15-16H2,(H,25,28)
• InChIKey: BYUYADUKBRWTFT-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 67393326) is 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1.

What is the InChIKey of 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is BYUYADUKBRWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-22(25-16-18-7-4-14-31-18)21-15-24(30-26-21)10-12-27(13-11-24)23(29)20-9-3-6-17-5-1-2-8-19(17)20/h1-9,14H,10-13,15-16H2,(H,25,28).

What are the key properties of 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 67393326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).