2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile

C132H140N20O18S2 — CID 159403309

IUPAC2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(CC)c2c1.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(OCCN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H27N3O3.C24H25N3O3.C22H25N3O4S.C21H23N3O4S.C20H19N5O2.C20H21N3O2/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-3-27-22-15-19(30-4-2)9-10-20(22)21(16-25)23(27)17-5-7-18(8-6-17)24(28)26-11-13-29-14-12-26;1-4-25-21-14-18(28-3)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)29-13-12-24-30(26,27)5-2;1-4-24-20-13-17(27-2)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)28-12-11-23-29(3,25)26;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21/h5-10,15,17H,4,11-14H2,1-3H3;5-10,15H,3-4,11-14H2,1-2H3;6-11,14,24H,4-5,12-13H2,1-3H3;5-10,13,23H,4,11-12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;4-9,12H,3,10-11,21H2,1-2H3
InChIKeyLNQBLODNWBFJEL-UHFFFAOYSA-N
MW2358.83 g/mol
LogP23.64
Rot. Bonds40

About 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile

2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (PubChem CID 159403309) has the molecular formula C132H140N20O18S2 and a molecular weight of 2358.83 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
PubChem CID159403309
Molecular FormulaC132H140N20O18S2
Molecular Weight2358.83 g/mol
Exact Mass2357.01
IUPAC Name2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(CC)c2c1.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(OCCN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H27N3O3.C24H25N3O3.C22H25N3O4S.C21H23N3O4S.C20H19N5O2.C20H21N3O2/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-3-27-22-15-19(30-4-2)9-10-20(22)21(16-25)23(27)17-5-7-18(8-6-17)24(28)26-11-13-29-14-12-26;1-4-25-21-14-18(28-3)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)29-13-12-24-30(26,27)5-2;1-4-24-20-13-17(27-2)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)28-12-11-23-29(3,25)26;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21/h5-10,15,17H,4,11-14H2,1-3H3;5-10,15H,3-4,11-14H2,1-2H3;6-11,14,24H,4-5,12-13H2,1-3H3;5-10,13,23H,4,11-12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;4-9,12H,3,10-11,21H2,1-2H3
InChIKeyLNQBLODNWBFJEL-UHFFFAOYSA-N
XLogP23.64
TPSA490.82 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002358.83
LogP ≤ 523.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (CID 159403309) is 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The canonical SMILES for 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(CC)c2c1.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(OCCN)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The InChIKey is LNQBLODNWBFJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C24H25N3O3.C22H25N3O4S.C21H23N3O4S.C20H19N5O2.C20H21N3O2/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-3-27-22-15-19(30-4-2)9-10-20(22)21(16-25)23(27)17-5-7-18(8-6-17)24(28)26-11-13-29-14-12-26;1-4-25-21-14-18(28-3)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)29-13-12-24-30(26,27)5-2;1-4-24-20-13-17(27-2)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)28-12-11-23-29(3,25)26;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;1-3-23-19-12-16(24-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)25-11-10-21/h5-10,15,17H,4,11-14H2,1-3H3;5-10,15H,3-4,11-14H2,1-2H3;6-11,14,24H,4-5,12-13H2,1-3H3;5-10,13,23H,4,11-12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;4-9,12H,3,10-11,21H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile has a molecular weight of 2358.83 g/mol, XLogP of 23.64, 40 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is sourced from PubChem (CID 159403309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).