2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

C145H156N22O19S3 — CID 158969650

IUPAC2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2CC)cc1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)N3CCCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21
InChIInChI=1S/C30H31N5O3S.C25H29N3O4.2C24H26N4O3S.C22H23N3O4.C20H21N3O2/c1-3-35-28-20-23(30(36)34-18-16-33(17-19-34)25-8-6-5-7-9-25)12-15-26(28)27(21-31)29(35)22-10-13-24(14-11-22)32-39(37,38)4-2;1-4-6-13-32-25(29)27-19-9-7-18(8-10-19)24-22(17-26)21-12-11-20(31-15-14-30-3)16-23(21)28(24)5-2;1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2;1-3-28-22-15-18(24(29)27-13-5-6-14-27)9-12-20(22)21(16-25)23(28)17-7-10-19(11-8-17)26-32(30,31)4-2;1-4-25-20-13-17(29-12-11-27-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-22(26)28-3;1-3-23-19-12-16(25-11-10-24-2)8-9-17(19)18(13-21)20(23)14-4-6-15(22)7-5-14/h5-15,20,32H,3-4,16-19H2,1-2H3;7-12,16H,4-6,13-15H2,1-3H3,(H,27,29);7-13,16,27H,3-6,15H2,1-2H3,(H,26,29);7-12,15,26H,3-6,13-14H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-9,12H,3,10-11,22H2,1-2H3
InChIKeyJNQJCQIQWWSQHO-UHFFFAOYSA-N
MW2607.18 g/mol
LogP27.01
Rot. Bonds44

About 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158969650) has the molecular formula C145H156N22O19S3 and a molecular weight of 2607.18 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158969650
Molecular FormulaC145H156N22O19S3
Molecular Weight2607.18 g/mol
Exact Mass2605.11
IUPAC Name2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2CC)cc1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)N3CCCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21
InChIInChI=1S/C30H31N5O3S.C25H29N3O4.2C24H26N4O3S.C22H23N3O4.C20H21N3O2/c1-3-35-28-20-23(30(36)34-18-16-33(17-19-34)25-8-6-5-7-9-25)12-15-26(28)27(21-31)29(35)22-10-13-24(14-11-22)32-39(37,38)4-2;1-4-6-13-32-25(29)27-19-9-7-18(8-10-19)24-22(17-26)21-12-11-20(31-15-14-30-3)16-23(21)28(24)5-2;1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2;1-3-28-22-15-18(24(29)27-13-5-6-14-27)9-12-20(22)21(16-25)23(28)17-7-10-19(11-8-17)26-32(30,31)4-2;1-4-25-20-13-17(29-12-11-27-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-22(26)28-3;1-3-23-19-12-16(25-11-10-24-2)8-9-17(19)18(13-21)20(23)14-4-6-15(22)7-5-14/h5-15,20,32H,3-4,16-19H2,1-2H3;7-12,16H,4-6,13-15H2,1-3H3,(H,27,29);7-13,16,27H,3-6,15H2,1-2H3,(H,26,29);7-12,15,26H,3-6,13-14H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-9,12H,3,10-11,22H2,1-2H3
InChIKeyJNQJCQIQWWSQHO-UHFFFAOYSA-N
XLogP27.01
TPSA541.85 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds44
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.18
LogP ≤ 527.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (CID 158969650) is 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is CCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2CC)cc1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)N3CCCC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)NCC3CC3)cc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is JNQJCQIQWWSQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3S.C25H29N3O4.2C24H26N4O3S.C22H23N3O4.C20H21N3O2/c1-3-35-28-20-23(30(36)34-18-16-33(17-19-34)25-8-6-5-7-9-25)12-15-26(28)27(21-31)29(35)22-10-13-24(14-11-22)32-39(37,38)4-2;1-4-6-13-32-25(29)27-19-9-7-18(8-10-19)24-22(17-26)21-12-11-20(31-15-14-30-3)16-23(21)28(24)5-2;1-3-28-22-13-18(24(29)26-15-16-5-6-16)9-12-20(22)21(14-25)23(28)17-7-10-19(11-8-17)27-32(30,31)4-2;1-3-28-22-15-18(24(29)27-13-5-6-14-27)9-12-20(22)21(16-25)23(28)17-7-10-19(11-8-17)26-32(30,31)4-2;1-4-25-20-13-17(29-12-11-27-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-22(26)28-3;1-3-23-19-12-16(25-11-10-24-2)8-9-17(19)18(13-21)20(23)14-4-6-15(22)7-5-14/h5-15,20,32H,3-4,16-19H2,1-2H3;7-12,16H,4-6,13-15H2,1-3H3,(H,27,29);7-13,16,27H,3-6,15H2,1-2H3,(H,26,29);7-12,15,26H,3-6,13-14H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-9,12H,3,10-11,22H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2607.18 g/mol, XLogP of 27.01, 44 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile;butyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-ethyl-6-(4-phenylpiperazine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]ethanesulfonamide;methyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158969650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).