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

C27H30FN5O7S — CID 118958134

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

N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide (PubChem CID 118958134) has the molecular formula C27H30FN5O7S and a molecular weight of 587.63 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide
• PubChem CID: 118958134
• Molecular Formula: C27H30FN5O7S
• Molecular Weight: 587.63 g/mol
• Exact Mass: 587.18
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O
• InChI: InChI=1S/C27H30FN5O7S/c1-29-25(36)30-20-7-8-22-18(13-20)9-11-27(22)24(35)33(26(37)40-27)16-23(34)32(14-17-3-5-19(28)6-4-17)21-10-12-31(15-21)41(2,38)39/h3-8,13,21H,9-12,14-16H2,1-2H3,(H2,29,30,36)/t21-,27-/m1/s1
• InChIKey: FECWOCMAJWOMQJ-JIPXPUAJSA-N
• XLogP: 1.76
• TPSA: 145.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.63
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide (CID 118958134) is N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide.

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

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O.

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

The InChIKey is FECWOCMAJWOMQJ-JIPXPUAJSA-N. The full InChI is InChI=1S/C27H30FN5O7S/c1-29-25(36)30-20-7-8-22-18(13-20)9-11-27(22)24(35)33(26(37)40-27)16-23(34)32(14-17-3-5-19(28)6-4-17)21-10-12-31(15-21)41(2,38)39/h3-8,13,21H,9-12,14-16H2,1-2H3,(H2,29,30,36)/t21-,27-/m1/s1.

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

N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 587.63 g/mol, XLogP of 1.76, 7 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-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 118958134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).