bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide

C181H244N24O17S2 — CID 159803226

About bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide

bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide (PubChem CID 159803226) has the molecular formula C181H244N24O17S2 and a molecular weight of 3092.23 g/mol. Its IUPAC name is bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide.

Molecular Properties

• Compound Name: bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide
• PubChem CID: 159803226
• Molecular Formula: C181H244N24O17S2
• Molecular Weight: 3092.23 g/mol
• Exact Mass: 3089.84
• IUPAC Name: bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide
• SMILES: C=CCNS(=C)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.C=CCNS(=C)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCCCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCNCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3[C@@H]4CC[C@H]3CNC4)CC2)cc1
• InChI: InChI=1S/C38H51N5O3.C37H50N4O3.C36H49N5O3.2C35H47N5O4S/c1-25-4-7-27(8-5-25)36(44)40-35-21-29-9-6-26(24-41-18-16-30(17-19-41)38(2,3)46)20-34(29)43(35)31-12-10-28(11-13-31)37(45)42-32-14-15-33(42)23-39-22-32;1-26-7-10-28(11-8-26)35(42)38-34-24-30-12-9-27(25-39-21-17-31(18-22-39)37(2,3)44)23-33(30)41(34)32-15-13-29(14-16-32)36(43)40-19-5-4-6-20-40;1-25-4-7-27(8-5-25)34(42)38-33-23-29-9-6-26(24-39-18-14-30(15-19-39)36(2,3)44)22-32(29)41(33)31-12-10-28(11-13-31)35(43)40-20-16-37-17-21-40;2*1-5-17-37-45(4,44)30-8-6-7-27(21-30)34(42)38-32-22-26-10-9-24(23-39-18-15-28(16-19-39)35(2,3)43)20-31(26)40(32)29-13-11-25(12-14-29)33(36)41/h4-9,20,28,30-33,39,46H,10-19,21-24H2,1-3H3;7-12,23,29,31-32,44H,4-6,13-22,24-25H2,1-3H3;4-9,22,28,30-31,37,44H,10-21,23-24H2,1-3H3;2*5-10,20-21,25,28-29,43H,1,4,11-19,22-23H2,2-3H3,(H2,36,41)(H,37,44)/b40-35+;38-34+;38-33+;2*38-32+/t28?,31?,32-,33+
• InChIKey: NKBFOIUHVVMRSF-QBCURQSBSA-N
• XLogP: 23.98
• TPSA: 510.07 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3092.23
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The IUPAC name of bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide (CID 159803226) is bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide.

What is the SMILES notation for bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The canonical SMILES for bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide is C=CCNS(=C)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.C=CCNS(=C)(=O)c1cccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)c1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCCCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCNCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3[C@@H]4CC[C@H]3CNC4)CC2)cc1.

What is the InChIKey of bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

The InChIKey is NKBFOIUHVVMRSF-QBCURQSBSA-N. The full InChI is InChI=1S/C38H51N5O3.C37H50N4O3.C36H49N5O3.2C35H47N5O4S/c1-25-4-7-27(8-5-25)36(44)40-35-21-29-9-6-26(24-41-18-16-30(17-19-41)38(2,3)46)20-34(29)43(35)31-12-10-28(11-13-31)37(45)42-32-14-15-33(42)23-39-22-32;1-26-7-10-28(11-8-26)35(42)38-34-24-30-12-9-27(25-39-21-17-31(18-22-39)37(2,3)44)23-33(30)41(34)32-15-13-29(14-16-32)36(43)40-19-5-4-6-20-40;1-25-4-7-27(8-5-25)34(42)38-33-23-29-9-6-26(24-39-18-14-30(15-19-39)36(2,3)44)22-32(29)41(33)31-12-10-28(11-13-31)35(43)40-20-16-37-17-21-40;2*1-5-17-37-45(4,44)30-8-6-7-27(21-30)34(42)38-32-22-26-10-9-24(23-39-18-15-28(16-19-39)35(2,3)43)20-31(26)40(32)29-13-11-25(12-14-29)33(36)41/h4-9,20,28,30-33,39,46H,10-19,21-24H2,1-3H3;7-12,23,29,31-32,44H,4-6,13-22,24-25H2,1-3H3;4-9,22,28,30-31,37,44H,10-21,23-24H2,1-3H3;2*5-10,20-21,25,28-29,43H,1,4,11-19,22-23H2,2-3H3,(H2,36,41)(H,37,44)/b40-35+;38-34+;38-33+;2*38-32+/t28?,31?,32-,33+;;;;.

What are the key properties of bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide?

bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide has a molecular weight of 3092.23 g/mol, XLogP of 23.98, 38 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-[methylidene-oxo-(prop-2-enylamino)-λ6-sulfanyl]benzamide);N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide is sourced from PubChem (CID 159803226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).