N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile

C143H145N21O18S6 — CID 157174041

IUPACN-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile
SMILESCCCOc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC)c2c1.CCCS(=O)(=O)Nc1ccccc1-c1c(C#N)c2ccc(OC)cc2n1CC.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccn3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21
InChIInChI=1S/C26H24N4O3S.2C25H24N4O3S.2C23H25N3O3S.C21H23N3O3S/c1-2-30-25-14-21(33-17-18-4-3-13-28-16-18)9-12-23(25)24(15-27)26(30)19-5-7-20(8-6-19)29-34(31,32)22-10-11-22;1-3-29-24-14-21(32-17-18-6-5-13-27-16-18)11-12-22(24)23(15-26)25(29)19-7-9-20(10-8-19)28-33(30,31)4-2;1-3-29-24-15-21(32-17-20-7-5-6-14-27-20)12-13-22(24)23(16-26)25(29)18-8-10-19(11-9-18)28-33(30,31)4-2;1-4-25-22-14-19(29-16(2)3)10-11-20(22)21(15-24)23(25)17-6-8-18(9-7-17)26-12-5-13-30(26,27)28;1-3-13-29-19-10-11-20-21(16-24)23(25(4-2)22(20)15-19)17-6-8-18(9-7-17)26-12-5-14-30(26,27)28;1-4-12-28(25,26)23-19-9-7-6-8-17(19)21-18(14-22)16-11-10-15(27-3)13-20(16)24(21)5-2/h3-9,12-14,16,22,29H,2,10-11,17H2,1H3;5-14,16,28H,3-4,17H2,1-2H3;5-15,28H,3-4,17H2,1-2H3;6-11,14,16H,4-5,12-13H2,1-3H3;6-11,15H,3-5,12-14H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3
InChIKeyANUMNNZBSBSHEI-UHFFFAOYSA-N
MW2638.26 g/mol
LogP28.36
Rot. Bonds42

About N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile

N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile (PubChem CID 157174041) has the molecular formula C143H145N21O18S6 and a molecular weight of 2638.26 g/mol. Its IUPAC name is N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile.

Molecular Properties

Compound NameN-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile
PubChem CID157174041
Molecular FormulaC143H145N21O18S6
Molecular Weight2638.26 g/mol
Exact Mass2635.94
IUPAC NameN-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile
SMILESCCCOc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC)c2c1.CCCS(=O)(=O)Nc1ccccc1-c1c(C#N)c2ccc(OC)cc2n1CC.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccn3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21
InChIInChI=1S/C26H24N4O3S.2C25H24N4O3S.2C23H25N3O3S.C21H23N3O3S/c1-2-30-25-14-21(33-17-18-4-3-13-28-16-18)9-12-23(25)24(15-27)26(30)19-5-7-20(8-6-19)29-34(31,32)22-10-11-22;1-3-29-24-14-21(32-17-18-6-5-13-27-16-18)11-12-22(24)23(15-26)25(29)19-7-9-20(10-8-19)28-33(30,31)4-2;1-3-29-24-15-21(32-17-20-7-5-6-14-27-20)12-13-22(24)23(16-26)25(29)18-8-10-19(11-9-18)28-33(30,31)4-2;1-4-25-22-14-19(29-16(2)3)10-11-20(22)21(15-24)23(25)17-6-8-18(9-7-17)26-12-5-13-30(26,27)28;1-3-13-29-19-10-11-20-21(16-24)23(25(4-2)22(20)15-19)17-6-8-18(9-7-17)26-12-5-14-30(26,27)28;1-4-12-28(25,26)23-19-9-7-6-8-17(19)21-18(14-22)16-11-10-15(27-3)13-20(16)24(21)5-2/h3-9,12-14,16,22,29H,2,10-11,17H2,1H3;5-14,16,28H,3-4,17H2,1-2H3;5-15,28H,3-4,17H2,1-2H3;6-11,14,16H,4-5,12-13H2,1-3H3;6-11,15H,3-5,12-14H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3
InChIKeyANUMNNZBSBSHEI-UHFFFAOYSA-N
XLogP28.36
TPSA525.81 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002638.26
LogP ≤ 528.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile?
The IUPAC name of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile (CID 157174041) is N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile.
What is the SMILES notation for N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile?
The canonical SMILES for N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile is CCCOc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC)c2c1.CCCS(=O)(=O)Nc1ccccc1-c1c(C#N)c2ccc(OC)cc2n1CC.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccn3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21.
What is the InChIKey of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile?
The InChIKey is ANUMNNZBSBSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S.2C25H24N4O3S.2C23H25N3O3S.C21H23N3O3S/c1-2-30-25-14-21(33-17-18-4-3-13-28-16-18)9-12-23(25)24(15-27)26(30)19-5-7-20(8-6-19)29-34(31,32)22-10-11-22;1-3-29-24-14-21(32-17-18-6-5-13-27-16-18)11-12-22(24)23(15-26)25(29)19-7-9-20(10-8-19)28-33(30,31)4-2;1-3-29-24-15-21(32-17-20-7-5-6-14-27-20)12-13-22(24)23(16-26)25(29)18-8-10-19(11-9-18)28-33(30,31)4-2;1-4-25-22-14-19(29-16(2)3)10-11-20(22)21(15-24)23(25)17-6-8-18(9-7-17)26-12-5-13-30(26,27)28;1-3-13-29-19-10-11-20-21(16-24)23(25(4-2)22(20)15-19)17-6-8-18(9-7-17)26-12-5-14-30(26,27)28;1-4-12-28(25,26)23-19-9-7-6-8-17(19)21-18(14-22)16-11-10-15(27-3)13-20(16)24(21)5-2/h3-9,12-14,16,22,29H,2,10-11,17H2,1H3;5-14,16,28H,3-4,17H2,1-2H3;5-15,28H,3-4,17H2,1-2H3;6-11,14,16H,4-5,12-13H2,1-3H3;6-11,15H,3-5,12-14H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3.
What are the key properties of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile?
N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile has a molecular weight of 2638.26 g/mol, XLogP of 28.36, 42 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-propoxyindole-3-carbonitrile is sourced from PubChem (CID 157174041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).