N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile

C142H145F2N21O22S5 — CID 162023229

About N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile

N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile (PubChem CID 162023229) has the molecular formula C142H145F2N21O22S5 and a molecular weight of 2696.18 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile
• PubChem CID: 162023229
• Molecular Formula: C142H145F2N21O22S5
• Molecular Weight: 2696.18 g/mol
• Exact Mass: 2693.94
• IUPAC Name: N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1)C1CC1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOCCOC)cc21.CCn1c(-c2ccc3c(ccn3S(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CCCO2)cc1
• InChI: InChI=1S/C29H30N6O3.C25H29N3O5S.C23H25N3O4S.C22H21F2N3O4S.C22H21N3O3S.C21H19N3O3S/c1-19(20-5-6-20)38-29(36)33-22-9-7-21(8-10-22)28-26(16-30)25-12-11-24(37-14-13-34-18-31-17-32-34)15-27(25)35(28)23-3-2-4-23;1-3-27-24-17-21(33-15-14-32-13-12-31-2)9-10-22(24)23(18-26)25(27)19-5-7-20(8-6-19)28-11-4-16-34(28,29)30;1-3-25-22-15-19(30-13-12-29-2)9-10-20(22)21(16-24)23(25)17-5-7-18(8-6-17)26-11-4-14-31(26,27)28;1-32(28,29)26-15-6-4-14(5-7-15)21-19(12-25)18-9-8-16(31-22(23)24)11-20(18)27(21)13-17-3-2-10-30-17;1-4-24-21-13-17(28-3)7-8-18(21)19(14-23)22(24)16-6-9-20-15(12-16)10-11-25(20)29(26,27)5-2;1-4-23-20-12-16(27-2)6-7-17(20)18(13-22)21(23)15-5-8-19-14(11-15)9-10-24(19)28(3,25)26/h7-12,15,17-20,23H,2-6,13-14H2,1H3,(H,33,36);5-10,17H,3-4,11-16H2,1-2H3;5-10,15H,3-4,11-14H2,1-2H3;4-9,11,17,22,26H,2-3,10,13H2,1H3;6-13H,4-5H2,1-3H3;5-12H,4H2,1-3H3
• InChIKey: YVAGAOVIWRFGKN-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 532.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 42
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2696.18
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile?

The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile (CID 162023229) is N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile.

What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile?

The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1)C1CC1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOCCOC)cc21.CCn1c(-c2ccc3c(ccn3S(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CCCO2)cc1.

What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile?

The InChIKey is YVAGAOVIWRFGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3.C25H29N3O5S.C23H25N3O4S.C22H21F2N3O4S.C22H21N3O3S.C21H19N3O3S/c1-19(20-5-6-20)38-29(36)33-22-9-7-21(8-10-22)28-26(16-30)25-12-11-24(37-14-13-34-18-31-17-32-34)15-27(25)35(28)23-3-2-4-23;1-3-27-24-17-21(33-15-14-32-13-12-31-2)9-10-22(24)23(18-26)25(27)19-5-7-20(8-6-19)28-11-4-16-34(28,29)30;1-3-25-22-15-19(30-13-12-29-2)9-10-20(22)21(16-24)23(25)17-5-7-18(8-6-17)26-11-4-14-31(26,27)28;1-32(28,29)26-15-6-4-14(5-7-15)21-19(12-25)18-9-8-16(31-22(23)24)11-20(18)27(21)13-17-3-2-10-30-17;1-4-24-21-13-17(28-3)7-8-18(21)19(14-23)22(24)16-6-9-20-15(12-16)10-11-25(20)29(26,27)5-2;1-4-23-20-12-16(27-2)6-7-17(20)18(13-22)21(23)15-5-8-19-14(11-15)9-10-24(19)28(3,25)26/h7-12,15,17-20,23H,2-6,13-14H2,1H3,(H,33,36);5-10,17H,3-4,11-16H2,1-2H3;5-10,15H,3-4,11-14H2,1-2H3;4-9,11,17,22,26H,2-3,10,13H2,1H3;6-13H,4-5H2,1-3H3;5-12H,4H2,1-3H3.

What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile?

N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile has a molecular weight of 2696.18 g/mol, XLogP of 26.13, 42 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-6-(difluoromethoxy)-1-(oxolan-2-ylmethyl)indol-2-yl]phenyl]methanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-[2-(2-methoxyethoxy)ethoxy]indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonylindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonylindol-5-yl)indole-3-carbonitrile is sourced from PubChem (CID 162023229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).