3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide

C32H33F3N4O9S — CID 59867754

About 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide

3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide (PubChem CID 59867754) has the molecular formula C32H33F3N4O9S and a molecular weight of 706.70 g/mol. Its IUPAC name is 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide
• PubChem CID: 59867754
• Molecular Formula: C32H33F3N4O9S
• Molecular Weight: 706.70 g/mol
• Exact Mass: 706.19
• IUPAC Name: 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(C(N)=O)ccc32)c(OC(F)(F)F)c1
• InChI: InChI=1S/C32H33F3N4O9S/c1-17-6-10-25(47-5)22(12-17)31(38-16-19(40)14-24(38)29(42)37(2)3)21-13-18(28(36)41)7-9-23(21)39(30(31)43)49(44,45)27-11-8-20(46-4)15-26(27)48-32(33,34)35/h6-13,15,19,24,40H,14,16H2,1-5H3,(H2,36,41)/t19-,24+,31?/m1/s1
• InChIKey: ZMYOXPWNGKXXMZ-KLYJSIMZSA-N
• XLogP: 2.51
• TPSA: 169.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	706.70
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide?

The IUPAC name of 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide (CID 59867754) is 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide.

What is the SMILES notation for 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide?

The canonical SMILES for 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(C(N)=O)ccc32)c(OC(F)(F)F)c1.

What is the InChIKey of 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide?

The InChIKey is ZMYOXPWNGKXXMZ-KLYJSIMZSA-N. The full InChI is InChI=1S/C32H33F3N4O9S/c1-17-6-10-25(47-5)22(12-17)31(38-16-19(40)14-24(38)29(42)37(2)3)21-13-18(28(36)41)7-9-23(21)39(30(31)43)49(44,45)27-11-8-20(46-4)15-26(27)48-32(33,34)35/h6-13,15,19,24,40H,14,16H2,1-5H3,(H2,36,41)/t19-,24+,31?/m1/s1.

What are the key properties of 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide?

3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide has a molecular weight of 706.70 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide is sourced from PubChem (CID 59867754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).