2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide

C27H28F4N4O7S — CID 134327322

IUPAC2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CS(=O)(=O)N(C)C)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H28F4N4O7S/c1-16(27(29,30)31)34(13-17-4-6-19(28)7-5-17)23(37)14-35-24(38)26(42-25(35)39)11-10-18-12-20(8-9-21(18)26)32-22(36)15-43(40,41)33(2)3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,32,36)/t16?,26-/m1/s1
InChIKeyNDRFITAGKKFKPN-IIVOFZELSA-N
MW628.60 g/mol
LogP2.76
Rot. Bonds9

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

2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide (PubChem CID 134327322) has the molecular formula C27H28F4N4O7S and a molecular weight of 628.60 g/mol. Its IUPAC name is 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
PubChem CID134327322
Molecular FormulaC27H28F4N4O7S
Molecular Weight628.60 g/mol
Exact Mass628.16
IUPAC Name2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CS(=O)(=O)N(C)C)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H28F4N4O7S/c1-16(27(29,30)31)34(13-17-4-6-19(28)7-5-17)23(37)14-35-24(38)26(42-25(35)39)11-10-18-12-20(8-9-21(18)26)32-22(36)15-43(40,41)33(2)3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,32,36)/t16?,26-/m1/s1
InChIKeyNDRFITAGKKFKPN-IIVOFZELSA-N
XLogP2.76
TPSA133.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(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-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The IUPAC name of 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide (CID 134327322) is 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide.
What is the SMILES notation for 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The canonical SMILES for 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide is CC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CS(=O)(=O)N(C)C)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The InChIKey is NDRFITAGKKFKPN-IIVOFZELSA-N. The full InChI is InChI=1S/C27H28F4N4O7S/c1-16(27(29,30)31)34(13-17-4-6-19(28)7-5-17)23(37)14-35-24(38)26(42-25(35)39)11-10-18-12-20(8-9-21(18)26)32-22(36)15-43(40,41)33(2)3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,32,36)/t16?,26-/m1/s1.
What are the key properties of 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide has a molecular weight of 628.60 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-[[2-(dimethylsulfamoyl)acetyl]amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide is sourced from PubChem (CID 134327322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).