butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate

C138H146F6N20O16S2 — CID 158198035

About butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate

butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 158198035) has the molecular formula C138H146F6N20O16S2 and a molecular weight of 2518.93 g/mol. Its IUPAC name is butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 158198035
• Molecular Formula: C138H146F6N20O16S2
• Molecular Weight: 2518.93 g/mol
• Exact Mass: 2517.06
• IUPAC Name: butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2Cc2ccccc2)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.COC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2Cc2ccccc2)c1
• InChI: InChI=1S/C28H27N3O3.C25H21N3O3.C22H27F3N4O2.C21H25F3N4O2.2C21H23N3O3S/c1-3-4-15-34-28(32)30-22-12-8-11-21(16-22)27-25(18-29)24-14-13-23(33-2)17-26(24)31(27)19-20-9-6-5-7-10-20;1-30-20-11-12-21-22(15-26)24(18-9-6-10-19(13-18)27-25(29)31-2)28(23(21)14-20)16-17-7-4-3-5-8-17;1-5-29-18-12-14(22(23,24)25)6-7-16(18)17(13-26)19(29)28-10-8-15(9-11-28)27-20(30)31-21(2,3)4;1-5-28-17-12-14(21(22,23)24)6-7-15(17)16(13-25)18(28)26-8-10-27(11-9-26)19(29)30-20(2,3)4;1-5-24-20-11-10-17(27-4)12-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-13-17(27-3)10-11-20(18)24(21)5-2/h5-14,16-17H,3-4,15,19H2,1-2H3,(H,30,32);3-14H,16H2,1-2H3,(H,27,29);6-7,12,15H,5,8-11H2,1-4H3,(H,27,30);6-7,12H,5,8-11H2,1-4H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3
• InChIKey: GAOSHLDDNYSGTG-UHFFFAOYSA-N
• XLogP: 30.37
• TPSA: 452.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.93
LogP ≤ 5	30.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate (CID 158198035) is butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate is CCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2Cc2ccccc2)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.COC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2Cc2ccccc2)c1.

What is the InChIKey of butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is GAOSHLDDNYSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3.C25H21N3O3.C22H27F3N4O2.C21H25F3N4O2.2C21H23N3O3S/c1-3-4-15-34-28(32)30-22-12-8-11-21(16-22)27-25(18-29)24-14-13-23(33-2)17-26(24)31(27)19-20-9-6-5-7-10-20;1-30-20-11-12-21-22(15-26)24(18-9-6-10-19(13-18)27-25(29)31-2)28(23(21)14-20)16-17-7-4-3-5-8-17;1-5-29-18-12-14(22(23,24)25)6-7-16(18)17(13-26)19(29)28-10-8-15(9-11-28)27-20(30)31-21(2,3)4;1-5-28-17-12-14(21(22,23)24)6-7-15(17)16(13-25)18(28)26-8-10-27(11-9-26)19(29)30-20(2,3)4;1-5-24-20-11-10-17(27-4)12-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-13-17(27-3)10-11-20(18)24(21)5-2/h5-14,16-17H,3-4,15,19H2,1-2H3,(H,30,32);3-14H,16H2,1-2H3,(H,27,29);6-7,12,15H,5,8-11H2,1-4H3,(H,27,30);6-7,12H,5,8-11H2,1-4H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3.

What are the key properties of butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?

butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2518.93 g/mol, XLogP of 30.37, 31 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158198035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).