N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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

C125H121N17O14S — CID 158623250

IUPACN-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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
SMILESCCn1c(-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(NC(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H23N3O3.C23H23N3O2.C22H21N3O2.C20H19N3O2.C19H19N3O3S.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;1-3-25-20-11-10-17(27-2)12-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(25-2)11-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;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;6-12,15H,3-5H2,1-2H3,(H,24,26);5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;4-10,21H,3H2,1-2H3
InChIKeyHYGNAYWFPOEDBQ-UHFFFAOYSA-N
MW2117.51 g/mol
LogP24.34
Rot. Bonds25

About N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 158623250) has the molecular formula C125H121N17O14S and a molecular weight of 2117.51 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 CID158623250
Molecular FormulaC125H121N17O14S
Molecular Weight2117.51 g/mol
Exact Mass2115.90
IUPAC NameN-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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
SMILESCCn1c(-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(NC(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H23N3O3.C23H23N3O2.C22H21N3O2.C20H19N3O2.C19H19N3O3S.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;1-3-25-20-11-10-17(27-2)12-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(25-2)11-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;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;6-12,15H,3-5H2,1-2H3,(H,24,26);5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;4-10,21H,3H2,1-2H3
InChIKeyHYGNAYWFPOEDBQ-UHFFFAOYSA-N
XLogP24.34
TPSA402.15 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.51
LogP ≤ 524.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 158623250) is N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 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(NC(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 HYGNAYWFPOEDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3.C23H23N3O2.C22H21N3O2.C20H19N3O2.C19H19N3O3S.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;1-3-25-20-11-10-17(27-2)12-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(25-2)11-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;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;6-12,15H,3-5H2,1-2H3,(H,24,26);5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;4-10,21H,3H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 2117.51 g/mol, XLogP of 24.34, 25 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-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 158623250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).