(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

C116H142N16O13S4 — CID 157211952

About (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 157211952) has the molecular formula C116H142N16O13S4 and a molecular weight of 2096.78 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
• PubChem CID: 157211952
• Molecular Formula: C116H142N16O13S4
• Molecular Weight: 2096.78 g/mol
• Exact Mass: 2094.98
• IUPAC Name: (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
• SMILES: CCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(=O)[nH]c3ccccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(=O)[nH]c3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C1CCC(=O)CC1
• InChI: InChI=1S/C30H38N4O3S.C29H34N4O3S.C29H36N4O3S.C28H34N4O4S/c1-4-31-20(3)28(35)33-27(21-13-16-37-17-14-21)30(36)34-15-7-10-26(34)29-32-25(18-38-29)24-12-11-19(2)22-8-5-6-9-23(22)24;1-18(30-2)27(35)32-26(20-12-14-21(34)15-13-20)29(36)33-16-6-11-25(33)28-31-24(17-37-28)23-10-5-8-19-7-3-4-9-22(19)23;1-3-18(2)27(35)32-26(19-10-5-4-6-11-19)29(36)33-15-9-14-24(33)28-31-23(17-37-28)21-16-25(34)30-22-13-8-7-12-20(21)22;1-3-17(2)26(34)31-25(18-10-13-36-14-11-18)28(35)32-12-6-9-23(32)27-30-22(16-37-27)20-15-24(33)29-21-8-5-4-7-19(20)21/h5-6,8-9,11-12,18,20-21,26-27,31H,4,7,10,13-17H2,1-3H3,(H,33,35);3-5,7-10,17-18,20,25-26,30H,6,11-16H2,1-2H3,(H,32,35);7-8,12-13,16-19,24,26H,3-6,9-11,14-15H2,1-2H3,(H,30,34)(H,32,35);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,29,33)(H,31,34)/t20-,26-,27-;18-,25-,26-;18-,24+,26+;17-,23+,25+/m0011/s1
• InChIKey: ARZLWDIEPDZDEQ-PCHWOJMUSA-N
• XLogP: 19.02
• TPSA: 374.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.78
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The IUPAC name of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (CID 157211952) is (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

What is the SMILES notation for (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The canonical SMILES for (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is CCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(=O)[nH]c3ccccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(=O)[nH]c3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C1CCC(=O)CC1.

What is the InChIKey of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The InChIKey is ARZLWDIEPDZDEQ-PCHWOJMUSA-N. The full InChI is InChI=1S/C30H38N4O3S.C29H34N4O3S.C29H36N4O3S.C28H34N4O4S/c1-4-31-20(3)28(35)33-27(21-13-16-37-17-14-21)30(36)34-15-7-10-26(34)29-32-25(18-38-29)24-12-11-19(2)22-8-5-6-9-23(22)24;1-18(30-2)27(35)32-26(20-12-14-21(34)15-13-20)29(36)33-16-6-11-25(33)28-31-24(17-37-28)23-10-5-8-19-7-3-4-9-22(19)23;1-3-18(2)27(35)32-26(19-10-5-4-6-11-19)29(36)33-15-9-14-24(33)28-31-23(17-37-28)21-16-25(34)30-22-13-8-7-12-20(21)22;1-3-17(2)26(34)31-25(18-10-13-36-14-11-18)28(35)32-12-6-9-23(32)27-30-22(16-37-27)20-15-24(33)29-21-8-5-4-7-19(20)21/h5-6,8-9,11-12,18,20-21,26-27,31H,4,7,10,13-17H2,1-3H3,(H,33,35);3-5,7-10,17-18,20,25-26,30H,6,11-16H2,1-2H3,(H,32,35);7-8,12-13,16-19,24,26H,3-6,9-11,14-15H2,1-2H3,(H,30,34)(H,32,35);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,29,33)(H,31,34)/t20-,26-,27-;18-,25-,26-;18-,24+,26+;17-,23+,25+/m0011/s1.

What are the key properties of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2096.78 g/mol, XLogP of 19.02, 29 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 157211952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).