tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C66H82ClF3N14O11S6 — CID 157368479

About tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157368479) has the molecular formula C66H82ClF3N14O11S6 and a molecular weight of 1532.32 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157368479
• Molecular Formula: C66H82ClF3N14O11S6
• Molecular Weight: 1532.32 g/mol
• Exact Mass: 1530.43
• IUPAC Name: tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C)(C)OC(=O)NCC1CCN(C2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1[C@@H](N2CCc3c2ccc(C(F)(F)F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCc3cccnc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H33N5O5S2.C22H18ClF3N4O3S2.C20H19N5O3S2.6H2/c1-24(2,3)34-23(31)26-16-17-8-12-28(13-9-17)20-10-14-29(21(20)30)18-4-6-19(7-5-18)36(32,33)27-22-25-11-15-35-22;23-19-15-7-10-30(17(15)6-5-16(19)22(24,25)26)18-8-11-29(20(18)31)13-1-3-14(4-2-13)35(32,33)28-21-27-9-12-34-21;26-19-17(25-11-7-14-2-1-9-21-18(14)25)8-12-24(19)15-3-5-16(6-4-15)30(27,28)23-20-22-10-13-29-20;;;;;;/h4-7,11,15,17,20H,8-10,12-14,16H2,1-3H3,(H,25,27)(H,26,31);1-6,9,12,18H,7-8,10-11H2,(H,27,28);1-6,9-10,13,17H,7-8,11-12H2,(H,22,23);6*1H/t;18-;17-;;;;;;/m.00....../s1
• InChIKey: BJLWLYHVDGOQIP-QZMPEDLZSA-N
• XLogP: 12.05
• TPSA: 299.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.32
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 157368479) is tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C)(C)OC(=O)NCC1CCN(C2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1[C@@H](N2CCc3c2ccc(C(F)(F)F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCc3cccnc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is BJLWLYHVDGOQIP-QZMPEDLZSA-N. The full InChI is InChI=1S/C24H33N5O5S2.C22H18ClF3N4O3S2.C20H19N5O3S2.6H2/c1-24(2,3)34-23(31)26-16-17-8-12-28(13-9-17)20-10-14-29(21(20)30)18-4-6-19(7-5-18)36(32,33)27-22-25-11-15-35-22;23-19-15-7-10-30(17(15)6-5-16(19)22(24,25)26)18-8-11-29(20(18)31)13-1-3-14(4-2-13)35(32,33)28-21-27-9-12-34-21;26-19-17(25-11-7-14-2-1-9-21-18(14)25)8-12-24(19)15-3-5-16(6-4-15)30(27,28)23-20-22-10-13-29-20;;;;;;/h4-7,11,15,17,20H,8-10,12-14,16H2,1-3H3,(H,25,27)(H,26,31);1-6,9,12,18H,7-8,10-11H2,(H,27,28);1-6,9-10,13,17H,7-8,11-12H2,(H,22,23);6*1H/t;18-;17-;;;;;;/m.00....../s1.

What are the key properties of tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1532.32 g/mol, XLogP of 12.05, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[1-[2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]piperidin-4-yl]methyl]carbamate;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157368479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).