N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
C127H123F8N19O15S4 — CID 159903105
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2C2CCC2)cc1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OCC(F)(F)F)cc4n3C3CCC3)cc2)CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C29H27N5O3.C26H26F3N3O3S.C26H25N5O3S.C24H24F3N3O3S.C22H21F2N3O3S/c1-18(19-5-6-19)36-29(35)33-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(37-27-17-31-13-14-32-27)15-26(24)34(28)22-3-2-4-22;1-2-25(12-13-25)36(33,34)31-18-8-6-17(7-9-18)24-22(15-30)21-11-10-20(35-16-26(27,28)29)14-23(21)32(24)19-4-3-5-19;1-2-14-35(32,33)30-20-8-6-19(7-9-20)25-23(16-27)22-11-10-21(34-26-28-12-3-13-29-26)15-24(22)31(25)17-18-4-5-18;1-15(2)34(31,32)29-17-8-6-16(7-9-17)23-21(13-28)20-11-10-19(33-14-24(25,26)27)12-22(20)30(23)18-4-3-5-18;1-13(2)31(28,29)26-15-5-3-14(4-6-15)21-19(12-25)18-10-9-17(30-22(23)24)11-20(18)27(21)16-7-8-16/h7-15,17-19,22H,2-6H2,1H3,(H,33,35);6-11,14,19,31H,2-5,12-13,16H2,1H3;3,6-13,15,18,30H,2,4-5,14,17H2,1H3;6-12,15,18,29H,3-5,14H2,1-2H3;3-6,9-11,13,16,22,26H,7-8H2,1-2H3/t18-;;;;/m1..../s1
InChIKeyNWFDWLBVZPMRQN-HHVPYRKWSA-N
MW2435.75 g/mol
LogP29.95
Rot. Bonds38
About N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 159903105) has the molecular formula C127H123F8N19O15S4 and a molecular weight of 2435.75 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate.
Molecular Properties
| Compound Name | N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 159903105 |
| Molecular Formula | C127H123F8N19O15S4 |
| Molecular Weight | 2435.75 g/mol |
| Exact Mass | 2433.82 |
| IUPAC Name | N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate |
| SMILES | CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2C2CCC2)cc1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OCC(F)(F)F)cc4n3C3CCC3)cc2)CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2C2CCC2)cc1)C1CC1 |
| InChI | InChI=1S/C29H27N5O3.C26H26F3N3O3S.C26H25N5O3S.C24H24F3N3O3S.C22H21F2N3O3S/c1-18(19-5-6-19)36-29(35)33-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(37-27-17-31-13-14-32-27)15-26(24)34(28)22-3-2-4-22;1-2-25(12-13-25)36(33,34)31-18-8-6-17(7-9-18)24-22(15-30)21-11-10-20(35-16-26(27,28)29)14-23(21)32(24)19-4-3-5-19;1-2-14-35(32,33)30-20-8-6-19(7-9-20)25-23(16-27)22-11-10-21(34-26-28-12-3-13-29-26)15-24(22)31(25)17-18-4-5-18;1-15(2)34(31,32)29-17-8-6-16(7-9-17)23-21(13-28)20-11-10-19(33-14-24(25,26)27)12-22(20)30(23)18-4-3-5-18;1-13(2)31(28,29)26-15-5-3-14(4-6-15)21-19(12-25)18-10-9-17(30-22(23)24)11-20(18)27(21)16-7-8-16/h7-15,17-19,22H,2-6H2,1H3,(H,33,35);6-11,14,19,31H,2-5,12-13,16H2,1H3;3,6-13,15,18,30H,2,4-5,14,17H2,1H3;6-12,15,18,29H,3-5,14H2,1-2H3;3-6,9-11,13,16,22,26H,7-8H2,1-2H3/t18-;;;;/m1..../s1 |
| InChIKey | NWFDWLBVZPMRQN-HHVPYRKWSA-N |
| XLogP | 29.95 |
| TPSA | 464.32 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 173 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2435.75 |
| LogP ≤ 5 | 29.95 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 29 |
Frequently Asked Questions
What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate (CID 159903105) is N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate is CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2C2CCC2)cc1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OCC(F)(F)F)cc4n3C3CCC3)cc2)CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is NWFDWLBVZPMRQN-HHVPYRKWSA-N. The full InChI is InChI=1S/C29H27N5O3.C26H26F3N3O3S.C26H25N5O3S.C24H24F3N3O3S.C22H21F2N3O3S/c1-18(19-5-6-19)36-29(35)33-21-9-7-20(8-10-21)28-25(16-30)24-12-11-23(37-27-17-31-13-14-32-27)15-26(24)34(28)22-3-2-4-22;1-2-25(12-13-25)36(33,34)31-18-8-6-17(7-9-18)24-22(15-30)21-11-10-20(35-16-26(27,28)29)14-23(21)32(24)19-4-3-5-19;1-2-14-35(32,33)30-20-8-6-19(7-9-20)25-23(16-27)22-11-10-21(34-26-28-12-3-13-29-26)15-24(22)31(25)17-18-4-5-18;1-15(2)34(31,32)29-17-8-6-16(7-9-17)23-21(13-28)20-11-10-19(33-14-24(25,26)27)12-22(20)30(23)18-4-3-5-18;1-13(2)31(28,29)26-15-5-3-14(4-6-15)21-19(12-25)18-10-9-17(30-22(23)24)11-20(18)27(21)16-7-8-16/h7-15,17-19,22H,2-6H2,1H3,(H,33,35);6-11,14,19,31H,2-5,12-13,16H2,1H3;3,6-13,15,18,30H,2,4-5,14,17H2,1H3;6-12,15,18,29H,3-5,14H2,1-2H3;3-6,9-11,13,16,22,26H,7-8H2,1-2H3/t18-;;;;/m1..../s1.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate?
N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 2435.75 g/mol, XLogP of 29.95, 38 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159903105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159903105 — identifiers, structure, computed properties (public domain)
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