(2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide

C131H124Cl2N14O20S5 — CID 160747234

About (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide

(2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide (PubChem CID 160747234) has the molecular formula C131H124Cl2N14O20S5 and a molecular weight of 2445.75 g/mol. Its IUPAC name is (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide.

Molecular Properties

• Compound Name: (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
• PubChem CID: 160747234
• Molecular Formula: C131H124Cl2N14O20S5
• Molecular Weight: 2445.75 g/mol
• Exact Mass: 2442.71
• IUPAC Name: (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
• SMILES: C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccsc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccsc2C#N)cc1.O=C(NCc1ccc(-c2ccccc2Cl)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCc1ccc(-c2sccc2-c2nccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
• InChI: InChI=1S/C30H29N3O4S.C26H25Cl2N3O4.C26H23N3O4S2.C25H23N3O4S.C24H24N2O4S/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;27-18-6-3-5-16(13-18)22-9-4-12-31(22)26(35)24(33)23(32)25(34)30-15-19-11-10-17(14-29-19)20-7-1-2-8-21(20)28;30-21(22(31)26(33)29-14-18-3-1-2-4-19(18)15-29)24(32)28-13-16-5-7-17(8-6-16)23-20(9-11-34-23)25-27-10-12-35-25;1-15(16-6-8-17(9-7-16)20-10-11-33-21(20)12-26)27-24(31)22(29)23(30)25(32)28-13-18-4-2-3-5-19(18)14-28;1-15(16-6-8-17(9-7-16)20-10-11-31-14-20)25-23(29)21(27)22(28)24(30)26-12-18-4-2-3-5-19(18)13-26/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);1-3,5-8,10-11,13-14,22-24,32-33H,4,9,12,15H2,(H,30,34);1-12,21-22,30-31H,13-15H2,(H,28,32);2-11,15,22-23,29-30H,13-14H2,1H3,(H,27,31);2-11,14-15,21-22,27-28H,12-13H2,1H3,(H,25,29)/t25-,26-,27-;22?,23-,24-;21-,22-;15-,22-,23-;15-,21-,22-/m11111/s1
• InChIKey: RWIPOCVKIKYLQL-VCEITWKCSA-N
• XLogP: 16.94
• TPSA: 511.81 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.75
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

The IUPAC name of (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide (CID 160747234) is (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide.

What is the SMILES notation for (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

The canonical SMILES for (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide is C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccsc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccsc2C#N)cc1.O=C(NCc1ccc(-c2ccccc2Cl)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCc1ccc(-c2sccc2-c2nccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.

What is the InChIKey of (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

The InChIKey is RWIPOCVKIKYLQL-VCEITWKCSA-N. The full InChI is InChI=1S/C30H29N3O4S.C26H25Cl2N3O4.C26H23N3O4S2.C25H23N3O4S.C24H24N2O4S/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;27-18-6-3-5-16(13-18)22-9-4-12-31(22)26(35)24(33)23(32)25(34)30-15-19-11-10-17(14-29-19)20-7-1-2-8-21(20)28;30-21(22(31)26(33)29-14-18-3-1-2-4-19(18)15-29)24(32)28-13-16-5-7-17(8-6-16)23-20(9-11-34-23)25-27-10-12-35-25;1-15(16-6-8-17(9-7-16)20-10-11-33-21(20)12-26)27-24(31)22(29)23(30)25(32)28-13-18-4-2-3-5-19(18)14-28;1-15(16-6-8-17(9-7-16)20-10-11-31-14-20)25-23(29)21(27)22(28)24(30)26-12-18-4-2-3-5-19(18)13-26/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);1-3,5-8,10-11,13-14,22-24,32-33H,4,9,12,15H2,(H,30,34);1-12,21-22,30-31H,13-15H2,(H,28,32);2-11,15,22-23,29-30H,13-14H2,1H3,(H,27,31);2-11,14-15,21-22,27-28H,12-13H2,1H3,(H,25,29)/t25-,26-,27-;22?,23-,24-;21-,22-;15-,22-,23-;15-,21-,22-/m11111/s1.

What are the key properties of (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

(2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide has a molecular weight of 2445.75 g/mol, XLogP of 16.94, 34 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-thiophen-3-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 160747234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).