1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C142H136F6N20O17S4 — CID 158807412

About 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 158807412) has the molecular formula C142H136F6N20O17S4 and a molecular weight of 2637.03 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 158807412
• Molecular Formula: C142H136F6N20O17S4
• Molecular Weight: 2637.03 g/mol
• Exact Mass: 2634.92
• IUPAC Name: 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCC1C(c2ccc(NC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)=C(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C38H33N5O3.C24H27N3O3.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-29-32-19-27(45-3)15-17-30(32)33(21-39)36(29)23-7-11-25(12-8-23)41-38(44)42-26-13-9-24(10-14-26)37-34(22-40)31-18-16-28(46-4)20-35(31)43(37)6-2;1-6-27-21-13-18(29-5)11-12-19(21)20(14-25)22(27)16-7-9-17(10-8-16)26-23(28)30-15-24(2,3)4;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-9-17(10-5-14)28(25,26)23-15-6-7-15;1-3-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25-29(27,28)4-2;1-3-23-19-12-15(27-2)6-9-17(19)18(13-21)20(23)14-4-7-16(8-5-14)28(25,26)22-10-11-24;1-3-25-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(25)12-4-7-14(8-5-12)24-28(2,26)27/h7-20,29H,5-6H2,1-4H3,(H2,41,42,44);7-13H,6,15H2,1-5H3,(H,26,28);4-5,8-12,15,23H,3,6-7H2,1-2H3;5-11,25H,3-4H2,1-2H3;4-9,12,22,24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3
• InChIKey: IUGDXWRUQNXXSD-UHFFFAOYSA-N
• XLogP: 30.30
• TPSA: 526.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.03
LogP ≤ 5	30.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 158807412) is 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCC1C(c2ccc(NC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)=C(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is IUGDXWRUQNXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5O3.C24H27N3O3.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-29-32-19-27(45-3)15-17-30(32)33(21-39)36(29)23-7-11-25(12-8-23)41-38(44)42-26-13-9-24(10-14-26)37-34(22-40)31-18-16-28(46-4)20-35(31)43(37)6-2;1-6-27-21-13-18(29-5)11-12-19(21)20(14-25)22(27)16-7-9-17(10-8-16)26-23(28)30-15-24(2,3)4;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-9-17(10-5-14)28(25,26)23-15-6-7-15;1-3-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25-29(27,28)4-2;1-3-23-19-12-15(27-2)6-9-17(19)18(13-21)20(23)14-4-7-16(8-5-14)28(25,26)22-10-11-24;1-3-25-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(25)12-4-7-14(8-5-12)24-28(2,26)27/h7-20,29H,5-6H2,1-4H3,(H2,41,42,44);7-13H,6,15H2,1-5H3,(H,26,28);4-5,8-12,15,23H,3,6-7H2,1-2H3;5-11,25H,3-4H2,1-2H3;4-9,12,22,24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3.

What are the key properties of 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2637.03 g/mol, XLogP of 30.30, 35 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158807412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).