N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide

C26H29FN4O7S — CID 135204753

About N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide (PubChem CID 135204753) has the molecular formula C26H29FN4O7S and a molecular weight of 560.60 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide
• PubChem CID: 135204753
• Molecular Formula: C26H29FN4O7S
• Molecular Weight: 560.60 g/mol
• Exact Mass: 560.17
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)CC(=O)[C@]21OCN(CC(=O)N(Cc2ccc(F)cc2)C(C)CS(C)(=O)=O)C1=O
• InChI: InChI=1S/C26H29FN4O7S/c1-16(14-39(3,36)37)31(12-17-4-6-19(27)7-5-17)23(33)13-30-15-38-26(24(30)34)21-9-8-20(29-25(35)28-2)10-18(21)11-22(26)32/h4-10,16H,11-15H2,1-3H3,(H2,28,29,35)/t16?,26-/m1/s1
• InChIKey: QFAGKHQQDZLQSG-IIVOFZELSA-N
• XLogP: 1.18
• TPSA: 142.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.60
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide (CID 135204753) is N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide is CNC(=O)Nc1ccc2c(c1)CC(=O)[C@]21OCN(CC(=O)N(Cc2ccc(F)cc2)C(C)CS(C)(=O)=O)C1=O.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide?

The InChIKey is QFAGKHQQDZLQSG-IIVOFZELSA-N. The full InChI is InChI=1S/C26H29FN4O7S/c1-16(14-39(3,36)37)31(12-17-4-6-19(27)7-5-17)23(33)13-30-15-38-26(24(30)34)21-9-8-20(29-25(35)28-2)10-18(21)11-22(26)32/h4-10,16H,11-15H2,1-3H3,(H2,28,29,35)/t16?,26-/m1/s1.

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide?

N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide has a molecular weight of 560.60 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylsulfonylpropan-2-yl)acetamide is sourced from PubChem (CID 135204753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).