4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine

C151H201N25O21S7 — CID 159705479

About 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine

4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine (PubChem CID 159705479) has the molecular formula C151H201N25O21S7 and a molecular weight of 2926.89 g/mol. Its IUPAC name is 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine.

Molecular Properties

• Compound Name: 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine
• PubChem CID: 159705479
• Molecular Formula: C151H201N25O21S7
• Molecular Weight: 2926.89 g/mol
• Exact Mass: 2924.35
• IUPAC Name: 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine
• SMILES: CCn1c(C#CCNc2ccc(S(=O)(=O)N(C)CCOC)cc2OC)cc2c(NC3CCS(=O)(=O)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCCCC3)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OC)cc2c(NC3CCS(=O)(=O)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)NC(C)C)cc2OC)cc2c(NC3CCN(CCO)CC3)cccc21
• InChI: InChI=1S/C31H42N6O3S.C31H41N5O3S.C30H39N5O5S2.C30H41N5O4S.C29H38N4O6S2/c1-5-37-25(22-27-28(9-6-10-30(27)37)33-24-13-16-34(2)17-14-24)8-7-15-32-29-12-11-26(23-31(29)40-4)41(38,39)36-20-18-35(3)19-21-36;1-4-36-25(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;1-4-35-24(21-26-27(8-5-9-29(26)35)32-23-12-19-41(36,37)20-13-23)7-6-14-31-28-11-10-25(22-30(28)40-3)42(38,39)34-17-15-33(2)16-18-34;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;1-5-33-23(20-25-26(9-6-10-28(25)33)31-22-13-18-40(34,35)19-14-22)8-7-15-30-27-12-11-24(21-29(27)39-4)41(36,37)32(2)16-17-38-3/h6,9-12,22-24,32-33H,5,13-21H2,1-4H3;8,11-14,22-24,32-33H,4-7,15-21H2,1-3H3;5,8-11,21-23,31-32H,4,12-20H2,1-3H3;6,9-12,20-23,31-33,36H,5,13-19H2,1-4H3;6,9-12,20-22,30-31H,5,13-19H2,1-4H3
• InChIKey: MYDRWYYSQJNYPV-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 500.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 46
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2926.89
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine?

The IUPAC name of 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine (CID 159705479) is 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine.

What is the SMILES notation for 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine?

The canonical SMILES for 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine is CCn1c(C#CCNc2ccc(S(=O)(=O)N(C)CCOC)cc2OC)cc2c(NC3CCS(=O)(=O)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCCCC3)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OC)cc2c(NC3CCN(C)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OC)cc2c(NC3CCS(=O)(=O)CC3)cccc21.CCn1c(C#CCNc2ccc(S(=O)(=O)NC(C)C)cc2OC)cc2c(NC3CCN(CCO)CC3)cccc21.

What is the InChIKey of 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine?

The InChIKey is MYDRWYYSQJNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O3S.C31H41N5O3S.C30H39N5O5S2.C30H41N5O4S.C29H38N4O6S2/c1-5-37-25(22-27-28(9-6-10-30(27)37)33-24-13-16-34(2)17-14-24)8-7-15-32-29-12-11-26(23-31(29)40-4)41(38,39)36-20-18-35(3)19-21-36;1-4-36-25(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;1-4-35-24(21-26-27(8-5-9-29(26)35)32-23-12-19-41(36,37)20-13-23)7-6-14-31-28-11-10-25(22-30(28)40-3)42(38,39)34-17-15-33(2)16-18-34;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;1-5-33-23(20-25-26(9-6-10-28(25)33)31-22-13-18-40(34,35)19-14-22)8-7-15-30-27-12-11-24(21-29(27)39-4)41(36,37)32(2)16-17-38-3/h6,9-12,22-24,32-33H,5,13-21H2,1-4H3;8,11-14,22-24,32-33H,4-7,15-21H2,1-3H3;5,8-11,21-23,31-32H,4,12-20H2,1-3H3;6,9-12,20-23,31-33,36H,5,13-19H2,1-4H3;6,9-12,20-22,30-31H,5,13-19H2,1-4H3.

What are the key properties of 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine?

4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine has a molecular weight of 2926.89 g/mol, XLogP of 18.53, 46 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethylindol-2-yl]prop-2-ynylamino]-3-methoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-1-ethyl-2-[3-[2-methoxy-4-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]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-(4-methylpiperazin-1-yl)sulfonylanilino]prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine;1-ethyl-2-[3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)indol-4-amine is sourced from PubChem (CID 159705479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).