2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate

C81H101Cl3FN17O15S8 — CID 157159034

About 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate

2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate (PubChem CID 157159034) has the molecular formula C81H101Cl3FN17O15S8 and a molecular weight of 1934.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate
• PubChem CID: 157159034
• Molecular Formula: C81H101Cl3FN17O15S8
• Molecular Weight: 1934.70 g/mol
• Exact Mass: 1931.45
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate
• SMILES: CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2ccccc21.CCN[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C(COc1ccc(Cl)c(F)c1)NCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.O=C(Nc1ccc(Cl)cc1Cl)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27N5O3S2.C21H20ClFN4O4S2.C20H16Cl2N4O5S2.C15H18N4O3S2.10H2/c1-18-17-28(21-7-9-22(10-8-21)35(32,33)27-25-26-12-16-34-25)14-15-29(18)24(31)19(2)30-13-11-20-5-3-4-6-23(20)30;22-18-6-3-16(9-19(18)23)31-13-20(28)25-10-14-11-27(12-14)15-1-4-17(5-2-15)33(29,30)26-21-24-7-8-32-21;21-12-1-6-16(15(22)11-12)24-20(28)31-17-7-9-26(18(17)27)13-2-4-14(5-3-13)33(29,30)25-19-23-8-10-32-19;1-2-16-13-7-9-19(14(13)20)11-3-5-12(6-4-11)24(21,22)18-15-17-8-10-23-15;;;;;;;;;;/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,26,27);1-9,14H,10-13H2,(H,24,26)(H,25,28);1-6,8,10-11,17H,7,9H2,(H,23,25)(H,24,28);3-6,8,10,13,16H,2,7,9H2,1H3,(H,17,18);10*1H/t18?,19-;;17-;13-;;;;;;;;;;/m1.00........../s1
• InChIKey: AMDQEFRPGGYDKY-SPWNQTOYSA-N
• XLogP: 16.29
• TPSA: 397.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1934.70
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate (CID 157159034) is 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate is CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2ccccc21.CCN[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.O=C(COc1ccc(Cl)c(F)c1)NCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.O=C(Nc1ccc(Cl)cc1Cl)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate?

The InChIKey is AMDQEFRPGGYDKY-SPWNQTOYSA-N. The full InChI is InChI=1S/C25H27N5O3S2.C21H20ClFN4O4S2.C20H16Cl2N4O5S2.C15H18N4O3S2.10H2/c1-18-17-28(21-7-9-22(10-8-21)35(32,33)27-25-26-12-16-34-25)14-15-29(18)24(31)19(2)30-13-11-20-5-3-4-6-23(20)30;22-18-6-3-16(9-19(18)23)31-13-20(28)25-10-14-11-27(12-14)15-1-4-17(5-2-15)33(29,30)26-21-24-7-8-32-21;21-12-1-6-16(15(22)11-12)24-20(28)31-17-7-9-26(18(17)27)13-2-4-14(5-3-13)33(29,30)25-19-23-8-10-32-19;1-2-16-13-7-9-19(14(13)20)11-3-5-12(6-4-11)24(21,22)18-15-17-8-10-23-15;;;;;;;;;;/h3-13,16,18-19H,14-15,17H2,1-2H3,(H,26,27);1-9,14H,10-13H2,(H,24,26)(H,25,28);1-6,8,10-11,17H,7,9H2,(H,23,25)(H,24,28);3-6,8,10,13,16H,2,7,9H2,1H3,(H,17,18);10*1H/t18?,19-;;17-;13-;;;;;;;;;;/m1.00........../s1.

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate?

2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate has a molecular weight of 1934.70 g/mol, XLogP of 16.29, 27 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;4-[(3S)-3-(ethylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-indol-1-ylpropanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 157159034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).