2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C32H28F4N4O7S — CID 162646076

IUPAC2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC=CS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cc1
InChIInChI=1S/C32H28F4N4O7S/c1-3-48(45,46)25-11-8-23(9-12-25)37-29(43)38-24-10-13-26-21(16-24)14-15-31(26)28(42)40(30(44)47-31)18-27(41)39(19(2)32(34,35)36)17-20-4-6-22(33)7-5-20/h3-13,16,19H,1,14-15,17-18H2,2H3,(H2,37,38,43)/t19-,31+/m0/s1
InChIKeyKEUPLHATTJTFNL-QPHCHLROSA-N
MW688.66 g/mol
LogP5.49
Rot. Bonds9

About 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 162646076) has the molecular formula C32H28F4N4O7S and a molecular weight of 688.66 g/mol. Its IUPAC name is 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID162646076
Molecular FormulaC32H28F4N4O7S
Molecular Weight688.66 g/mol
Exact Mass688.16
IUPAC Name2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC=CS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cc1
InChIInChI=1S/C32H28F4N4O7S/c1-3-48(45,46)25-11-8-23(9-12-25)37-29(43)38-24-10-13-26-21(16-24)14-15-31(26)28(42)40(30(44)47-31)18-27(41)39(19(2)32(34,35)36)17-20-4-6-22(33)7-5-20/h3-13,16,19H,1,14-15,17-18H2,2H3,(H2,37,38,43)/t19-,31+/m0/s1
InChIKeyKEUPLHATTJTFNL-QPHCHLROSA-N
XLogP5.49
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.66
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 162646076) is 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C=CS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cc1.
What is the InChIKey of 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is KEUPLHATTJTFNL-QPHCHLROSA-N. The full InChI is InChI=1S/C32H28F4N4O7S/c1-3-48(45,46)25-11-8-23(9-12-25)37-29(43)38-24-10-13-26-21(16-24)14-15-31(26)28(42)40(30(44)47-31)18-27(41)39(19(2)32(34,35)36)17-20-4-6-22(33)7-5-20/h3-13,16,19H,1,14-15,17-18H2,2H3,(H2,37,38,43)/t19-,31+/m0/s1.
What are the key properties of 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 688.66 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-[(4-ethenylsulfonylphenyl)carbamoylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 162646076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).