4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide

C172H224N26O20S6 — CID 161044954

About 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide

4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 161044954) has the molecular formula C172H224N26O20S6 and a molecular weight of 3168.25 g/mol. Its IUPAC name is 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide
• PubChem CID: 161044954
• Molecular Formula: C172H224N26O20S6
• Molecular Weight: 3168.25 g/mol
• Exact Mass: 3165.56
• IUPAC Name: 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide
• SMILES: CCn1c(C#CCNc2ccc(S(=O)(=O)CC)cc2OC)cc2c(NC3CCOCC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N(C)C)cc2OC)cc2c(NC3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N(C)C)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCCCC3)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)NC(C)C)cc2OC)cc2c(NC3CCN(CCO)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2C)cc2c(NC3CCOCC3)cccc21
• InChI: InChI=1S/C31H41N5O3S.C30H41N5O4S.C30H41N5O3S.C28H37N5O3S.C27H33N3O4S.C26H31N3O3S/c1-4-36-25(22-27-28(11-8-12-30(27)36)33-24-15-20-34(2)21-16-24)10-9-17-32-29-14-13-26(23-31(29)39-3)40(37,38)35-18-6-5-7-19-35;1-5-35-24(8-7-15-31-28-12-11-25(21-30(28)39-4)40(37,38)33-22(2)3)20-26-27(9-6-10-29(26)35)32-23-13-16-34(17-14-23)18-19-36;1-7-35-24(10-9-19-31-28-18-17-25(21-30(28)38-6)39(36,37)34(4)5)20-26-27(11-8-12-29(26)35)32-22-13-15-23(16-14-22)33(2)3;1-6-33-22(19-24-25(10-7-11-27(24)33)30-21-14-17-32(4)18-15-21)9-8-16-29-26-13-12-23(20-28(26)36-5)37(34,35)31(2)3;1-4-30-21(18-23-24(9-6-10-26(23)30)29-20-13-16-34-17-14-20)8-7-15-28-25-12-11-22(19-27(25)33-3)35(31,32)5-2;1-4-29-21(7-6-14-27-24-11-10-22(17-19(24)2)33(3,30)31)18-23-25(8-5-9-26(23)29)28-20-12-15-32-16-13-20/h8,11-14,22-24,32-33H,4-7,15-21H2,1-3H3;6,9-12,20-23,31-33,36H,5,13-19H2,1-4H3;8,11-12,17-18,20-23,31-32H,7,13-16,19H2,1-6H3;7,10-13,19-21,29-30H,6,14-18H2,1-5H3;6,9-12,18-20,28-29H,4-5,13-17H2,1-3H3;5,8-11,17-18,20,27-28H,4,12-16H2,1-3H3
• InChIKey: UBJNLEIIUXCVCI-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 498.33 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3168.25
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide?

The IUPAC name of 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide (CID 161044954) is 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide.

What is the SMILES notation for 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide?

The canonical SMILES for 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide is CCn1c(C#CCNc2ccc(S(=O)(=O)CC)cc2OC)cc2c(NC3CCOCC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N(C)C)cc2OC)cc2c(NC3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N(C)C)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCCCC3)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)NC(C)C)cc2OC)cc2c(NC3CCN(CCO)CC3)cccc21.CCn1c(C#CCNc2ccc(S(C)(=O)=O)cc2C)cc2c(NC3CCOCC3)cccc21.

What is the InChIKey of 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide?

The InChIKey is UBJNLEIIUXCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O3S.C30H41N5O4S.C30H41N5O3S.C28H37N5O3S.C27H33N3O4S.C26H31N3O3S/c1-4-36-25(22-27-28(11-8-12-30(27)36)33-24-15-20-34(2)21-16-24)10-9-17-32-29-14-13-26(23-31(29)39-3)40(37,38)35-18-6-5-7-19-35;1-5-35-24(8-7-15-31-28-12-11-25(21-30(28)39-4)40(37,38)33-22(2)3)20-26-27(9-6-10-29(26)35)32-23-13-16-34(17-14-23)18-19-36;1-7-35-24(10-9-19-31-28-18-17-25(21-30(28)38-6)39(36,37)34(4)5)20-26-27(11-8-12-29(26)35)32-22-13-15-23(16-14-22)33(2)3;1-6-33-22(19-24-25(10-7-11-27(24)33)30-21-14-17-32(4)18-15-21)9-8-16-29-26-13-12-23(20-28(26)36-5)37(34,35)31(2)3;1-4-30-21(18-23-24(9-6-10-26(23)30)29-20-13-16-34-17-14-20)8-7-15-28-25-12-11-22(19-27(25)33-3)35(31,32)5-2;1-4-29-21(7-6-14-27-24-11-10-22(17-19(24)2)33(3,30)31)18-23-25(8-5-9-26(23)29)28-20-12-15-32-16-13-20/h8,11-14,22-24,32-33H,4-7,15-21H2,1-3H3;6,9-12,20-23,31-33,36H,5,13-19H2,1-4H3;8,11-12,17-18,20-23,31-32H,7,13-16,19H2,1-6H3;7,10-13,19-21,29-30H,6,14-18H2,1-5H3;6,9-12,18-20,28-29H,4-5,13-17H2,1-3H3;5,8-11,17-18,20,27-28H,4,12-16H2,1-3H3.

What are the key properties of 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide?

4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 3168.25 g/mol, XLogP of 26.01, 50 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[[4-(dimethylamino)cyclohexyl]amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide;1-ethyl-2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N-propan-2-ylbenzenesulfonamide;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methyl-4-methylsulfonylanilino)prop-1-ynyl]-N-(oxan-4-yl)indol-4-amine;4-[3-[1-ethyl-4-[(1-methylpiperidin-4-yl)amino]indol-2-yl]prop-2-ynylamino]-3-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 161044954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).