butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C123H120F6N18O16S3 — CID 159307512

About butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 159307512) has the molecular formula C123H120F6N18O16S3 and a molecular weight of 2316.61 g/mol. Its IUPAC name is butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 159307512
• Molecular Formula: C123H120F6N18O16S3
• Molecular Weight: 2316.61 g/mol
• Exact Mass: 2314.82
• IUPAC Name: butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCC(C)OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.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(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H25N3O3.C21H21N3O3.C20H18F3N3O2S.C20H21N3O3S.C20H19N3O3.C19H16F3N3O2S/c1-5-15(3)29-23(27)25-17-9-7-8-16(12-17)22-20(14-24)19-11-10-18(28-4)13-21(19)26(22)6-2;1-4-24-19-12-16(26-3)9-10-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;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;1-4-11-23-19-12-16(26-2)9-10-17(19)18(13-21)20(23)14-5-7-15(8-6-14)22-27(3,24)25;1-4-23-18-11-15(25-2)8-9-16(18)17(12-21)19(23)13-6-5-7-14(10-13)22-20(24)26-3;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/h7-13,15H,5-6H2,1-4H3,(H,25,27);6-12H,4-5H2,1-3H3,(H,23,25);5-11,25H,3-4H2,1-2H3;5-10,12,22H,4,11H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);4-10,24H,3H2,1-2H3
• InChIKey: LCCJSRQICREJPD-UHFFFAOYSA-N
• XLogP: 28.26
• TPSA: 462.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.61
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 159307512) is butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCC(C)OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.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(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is LCCJSRQICREJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C21H21N3O3.C20H18F3N3O2S.C20H21N3O3S.C20H19N3O3.C19H16F3N3O2S/c1-5-15(3)29-23(27)25-17-9-7-8-16(12-17)22-20(14-24)19-11-10-18(28-4)13-21(19)26(22)6-2;1-4-24-19-12-16(26-3)9-10-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;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;1-4-11-23-19-12-16(26-2)9-10-17(19)18(13-21)20(23)14-5-7-15(8-6-14)22-27(3,24)25;1-4-23-18-11-15(25-2)8-9-16(18)17(12-21)19(23)13-6-5-7-14(10-13)22-20(24)26-3;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/h7-13,15H,5-6H2,1-4H3,(H,25,27);6-12H,4-5H2,1-3H3,(H,23,25);5-11,25H,3-4H2,1-2H3;5-10,12,22H,4,11H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);4-10,24H,3H2,1-2H3.

What are the key properties of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2316.61 g/mol, XLogP of 28.26, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159307512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).