1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide

C115H154N14O16S3 — CID 159999894

About 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide

1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 159999894) has the molecular formula C115H154N14O16S3 and a molecular weight of 2084.78 g/mol. Its IUPAC name is 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 159999894
• Molecular Formula: C115H154N14O16S3
• Molecular Weight: 2084.78 g/mol
• Exact Mass: 2083.08
• IUPAC Name: 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide
• SMILES: CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1C(C)(C)C)C(C)(C)C.CC(CC(=O)C1CC(O)CN1C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)c1ccc(C#N)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(=O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1
• InChI: InChI=1S/C33H40N4O4S.C28H40N4O4S.C28H37N3O4S.C26H37N3O4/c1-19(2)28(37-16-23-9-7-8-10-25(23)31(37)40)32(41)36-17-24(38)14-27(36)30(39)34-15-22-12-11-21(13-26(22)33(4,5)6)29-20(3)35-18-42-29;1-16-23(37-15-30-16)18-9-10-19(21(11-18)27(3,4)5)13-29-25(35)22-12-20(34)14-32(22)26(36)24(28(6,7)8)31-17(2)33;1-17-23(36-16-29-17)19-11-8-18(9-12-19)10-13-22(33)21-14-20(32)15-31(21)25(34)24(27(2,3)4)30-26(35)28(5,6)7;1-16(18-10-8-17(14-27)9-11-18)12-21(31)20-13-19(30)15-29(20)23(32)22(25(2,3)4)28-24(33)26(5,6)7/h7-13,18-19,24,27-28,38H,14-17H2,1-6H3,(H,34,39);9-11,15,20,22,24,34H,12-14H2,1-8H3,(H,29,35)(H,31,33);8-9,11-12,16,21,24H,10,13-15H2,1-7H3,(H,30,35);8-11,16,19-20,22,30H,12-13,15H2,1-7H3,(H,28,33)
• InChIKey: OIAJWBJTFAZREN-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 421.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2084.78
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide (CID 159999894) is 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide is CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1C(C)(C)C)C(C)(C)C.CC(CC(=O)C1CC(O)CN1C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)c1ccc(C#N)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(=O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.

What is the InChIKey of 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

The InChIKey is OIAJWBJTFAZREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4S.C28H40N4O4S.C28H37N3O4S.C26H37N3O4/c1-19(2)28(37-16-23-9-7-8-10-25(23)31(37)40)32(41)36-17-24(38)14-27(36)30(39)34-15-22-12-11-21(13-26(22)33(4,5)6)29-20(3)35-18-42-29;1-16-23(37-15-30-16)18-9-10-19(21(11-18)27(3,4)5)13-29-25(35)22-12-20(34)14-32(22)26(36)24(28(6,7)8)31-17(2)33;1-17-23(36-16-29-17)19-11-8-18(9-12-19)10-13-22(33)21-14-20(32)15-31(21)25(34)24(27(2,3)4)30-26(35)28(5,6)7;1-16(18-10-8-17(14-27)9-11-18)12-21(31)20-13-19(30)15-29(20)23(32)22(25(2,3)4)28-24(33)26(5,6)7/h7-13,18-19,24,27-28,38H,14-17H2,1-6H3,(H,34,39);9-11,15,20,22,24,34H,12-14H2,1-8H3,(H,29,35)(H,31,33);8-9,11-12,16,21,24H,10,13-15H2,1-7H3,(H,30,35);8-11,16,19-20,22,30H,12-13,15H2,1-7H3,(H,28,33).

What are the key properties of 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 2084.78 g/mol, XLogP of 15.75, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[1-[2-[3-(4-cyanophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[3,3-dimethyl-1-[2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 159999894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).