N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile

C145H145N17O17S2 — CID 160908239

IUPACN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCO)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCOC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(SC)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H23N3O3.C23H23N3O2.C21H23N3O3S.C21H22N2O3.C20H20N2O3.C19H18N2OS.C18H16N2O2/c1-3-26-21-9-8-18(28-2)14-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-3-26-21-11-10-18(28-2)14-19(21)20(15-24)22(26)16-6-8-17(9-7-16)23(27)25-12-4-5-13-25;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-11-10-17(27-3)13-20(18)24(21)5-2;1-4-23-20-13-17(25-3)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)26-12-11-24-2;1-3-22-19-12-16(24-2)8-9-17(19)18(13-21)20(22)14-4-6-15(7-5-14)25-11-10-23;1-4-21-18-11-14(22-2)7-10-16(18)17(12-20)19(21)13-5-8-15(23-3)9-6-13;1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-9,14H,3,10-13H2,1-2H3;6-11,14H,3-5,12-13H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3;5-10,13H,4,11-12H2,1-3H3;4-9,12,23H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3;4-10,21H,3H2,1-2H3
InChIKeySQKSCTNWAPBXHL-UHFFFAOYSA-N
MW2461.99 g/mol
LogP29.14
Rot. Bonds35

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile (PubChem CID 160908239) has the molecular formula C145H145N17O17S2 and a molecular weight of 2461.99 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
PubChem CID160908239
Molecular FormulaC145H145N17O17S2
Molecular Weight2461.99 g/mol
Exact Mass2460.04
IUPAC NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCO)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCOC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(SC)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H23N3O3.C23H23N3O2.C21H23N3O3S.C21H22N2O3.C20H20N2O3.C19H18N2OS.C18H16N2O2/c1-3-26-21-9-8-18(28-2)14-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-3-26-21-11-10-18(28-2)14-19(21)20(15-24)22(26)16-6-8-17(9-7-16)23(27)25-12-4-5-13-25;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-11-10-17(27-3)13-20(18)24(21)5-2;1-4-23-20-13-17(25-3)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)26-12-11-24-2;1-3-22-19-12-16(24-2)8-9-17(19)18(13-21)20(22)14-4-6-15(7-5-14)25-11-10-23;1-4-21-18-11-14(22-2)7-10-16(18)17(12-20)19(21)13-5-8-15(23-3)9-6-13;1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-9,14H,3,10-13H2,1-2H3;6-11,14H,3-5,12-13H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3;5-10,13H,4,11-12H2,1-3H3;4-9,12,23H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3;4-10,21H,3H2,1-2H3
InChIKeySQKSCTNWAPBXHL-UHFFFAOYSA-N
XLogP29.14
TPSA429.82 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.99
LogP ≤ 529.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile (CID 160908239) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCO)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCOC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(SC)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
The InChIKey is SQKSCTNWAPBXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3.C23H23N3O2.C21H23N3O3S.C21H22N2O3.C20H20N2O3.C19H18N2OS.C18H16N2O2/c1-3-26-21-9-8-18(28-2)14-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-3-26-21-11-10-18(28-2)14-19(21)20(15-24)22(26)16-6-8-17(9-7-16)23(27)25-12-4-5-13-25;1-4-12-28(25,26)23-16-8-6-15(7-9-16)21-19(14-22)18-11-10-17(27-3)13-20(18)24(21)5-2;1-4-23-20-13-17(25-3)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)26-12-11-24-2;1-3-22-19-12-16(24-2)8-9-17(19)18(13-21)20(22)14-4-6-15(7-5-14)25-11-10-23;1-4-21-18-11-14(22-2)7-10-16(18)17(12-20)19(21)13-5-8-15(23-3)9-6-13;1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-9,14H,3,10-13H2,1-2H3;6-11,14H,3-5,12-13H2,1-2H3;6-11,13,23H,4-5,12H2,1-3H3;5-10,13H,4,11-12H2,1-3H3;4-9,12,23H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3;4-10,21H,3H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile has a molecular weight of 2461.99 g/mol, XLogP of 29.14, 35 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 160908239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).