N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C22H24N2O6S2 — CID 20937151

About N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20937151) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
• PubChem CID: 20937151
• Molecular Formula: C22H24N2O6S2
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.11
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
• SMILES: COc1ccccc1CNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)c1cccs1)CC2
• InChI: InChI=1S/C22H24N2O6S2/c1-15-19(20(25)23-14-16-6-3-4-7-17(16)29-2)22(30-21(15)26)9-11-24(12-10-22)32(27,28)18-8-5-13-31-18/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)
• InChIKey: XCGCDBVQCVLWTQ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 102.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20937151) is N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is COc1ccccc1CNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)c1cccs1)CC2.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The InChIKey is XCGCDBVQCVLWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-15-19(20(25)23-14-16-6-3-4-7-17(16)29-2)22(30-21(15)26)9-11-24(12-10-22)32(27,28)18-8-5-13-31-18/h3-8,13H,9-12,14H2,1-2H3,(H,23,25).

What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20937151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).