N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C125H106Cl3F12N15O7S — CID 159189954

About N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 159189954) has the molecular formula C125H106Cl3F12N15O7S and a molecular weight of 2296.72 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
• PubChem CID: 159189954
• Molecular Formula: C125H106Cl3F12N15O7S
• Molecular Weight: 2296.72 g/mol
• Exact Mass: 2293.70
• IUPAC Name: N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
• SMILES: CC(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1.CCCCNS(=O)(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(Cl)c(Cl)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2Cl)c1
• InChI: InChI=1S/C33H31F6N5O3S.C32H28F2N4O2.C30H23Cl2F2N3O.C30H24ClF2N3O/c1-2-3-11-41-48(46,47)22-8-6-19(7-9-22)23-5-4-10-40-29(23)26(14-18-12-20(34)15-21(35)13-18)42-27(45)17-44-31-28(30(43-44)32(36)37)24-16-25(24)33(31,38)39;1-19-12-21(14-25(34)13-19)15-30(38-31(40)16-23-18-36-29-10-7-24(33)17-28(23)29)32-27(4-3-11-35-32)22-5-8-26(9-6-22)37-20(2)39;1-17-9-18(11-22(34)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(32)13-19)37-29(38)14-20-16-36-27-7-5-21(33)15-24(20)27;1-18-11-19(13-22(33)12-18)14-28(30-24(6-4-10-34-30)23-5-2-3-7-26(23)31)36-29(37)15-20-17-35-27-9-8-21(32)16-25(20)27/h4-10,12-13,15,24-26,32,41H,2-3,11,14,16-17H2,1H3,(H,42,45);3-14,17-18,30,36H,15-16H2,1-2H3,(H,37,39)(H,38,40);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38);2-13,16-17,28,35H,14-15H2,1H3,(H,36,37)/t24?,25?,26-;30-;2*28-/m0000/s1
• InChIKey: KNYPQEHXSLUACC-OOEOAQLASA-N
• XLogP: 27.84
• TPSA: 308.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 35
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.72
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The IUPAC name of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 159189954) is N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is CC(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1.CCCCNS(=O)(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(Cl)c(Cl)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2Cl)c1.

What is the InChIKey of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The InChIKey is KNYPQEHXSLUACC-OOEOAQLASA-N. The full InChI is InChI=1S/C33H31F6N5O3S.C32H28F2N4O2.C30H23Cl2F2N3O.C30H24ClF2N3O/c1-2-3-11-41-48(46,47)22-8-6-19(7-9-22)23-5-4-10-40-29(23)26(14-18-12-20(34)15-21(35)13-18)42-27(45)17-44-31-28(30(43-44)32(36)37)24-16-25(24)33(31,38)39;1-19-12-21(14-25(34)13-19)15-30(38-31(40)16-23-18-36-29-10-7-24(33)17-28(23)29)32-27(4-3-11-35-32)22-5-8-26(9-6-22)37-20(2)39;1-17-9-18(11-22(34)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(32)13-19)37-29(38)14-20-16-36-27-7-5-21(33)15-24(20)27;1-18-11-19(13-22(33)12-18)14-28(30-24(6-4-10-34-30)23-5-2-3-7-26(23)31)36-29(37)15-20-17-35-27-9-8-21(32)16-25(20)27/h4-10,12-13,15,24-26,32,41H,2-3,11,14,16-17H2,1H3,(H,42,45);3-14,17-18,30,36H,15-16H2,1-2H3,(H,37,39)(H,38,40);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38);2-13,16-17,28,35H,14-15H2,1H3,(H,36,37)/t24?,25?,26-;30-;2*28-/m0000/s1.

What are the key properties of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 2296.72 g/mol, XLogP of 27.84, 35 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(3,4-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 159189954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).