N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate

C136H143Cl2FN20O17S2 — CID 157314126

IUPACN-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCOC(=O)Nc1cc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C25H28N4O3.C24H26N4O3.C24H27N3O4.C23H24FN3O3.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-12-32-25(30)27-19-7-5-6-18(15-19)24-22(17-26)21-16-20(28-10-13-31-14-11-28)8-9-23(21)29(24)4-2;1-3-28-22-9-8-19(27-10-12-30-13-11-27)15-20(22)21(16-25)23(28)17-6-5-7-18(14-17)26-24(29)31-4-2;1-6-27-21-13-17(31-15(3)4)9-10-18(21)19(14-25)23(27)16-8-11-22(29-5)20(12-16)26-24(28)30-7-2;1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,27,30);5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,29);8-13,15H,6-7H2,1-5H3,(H,26,28);7-12,14H,5-6H2,1-4H3,(H,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3
InChIKeyBDJRTVYDLQMJPQ-UHFFFAOYSA-N
MW2483.80 g/mol
LogP30.62
Rot. Bonds35

About N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate

N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate (PubChem CID 157314126) has the molecular formula C136H143Cl2FN20O17S2 and a molecular weight of 2483.80 g/mol. Its IUPAC name is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
PubChem CID157314126
Molecular FormulaC136H143Cl2FN20O17S2
Molecular Weight2483.80 g/mol
Exact Mass2480.97
IUPAC NameN-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCOC(=O)Nc1cc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C25H28N4O3.C24H26N4O3.C24H27N3O4.C23H24FN3O3.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-12-32-25(30)27-19-7-5-6-18(15-19)24-22(17-26)21-16-20(28-10-13-31-14-11-28)8-9-23(21)29(24)4-2;1-3-28-22-9-8-19(27-10-12-30-13-11-27)15-20(22)21(16-25)23(28)17-6-5-7-18(14-17)26-24(29)31-4-2;1-6-27-21-13-17(31-15(3)4)9-10-18(21)19(14-25)23(27)16-8-11-22(29-5)20(12-16)26-24(28)30-7-2;1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,27,30);5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,29);8-13,15H,6-7H2,1-5H3,(H,26,28);7-12,14H,5-6H2,1-4H3,(H,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3
InChIKeyBDJRTVYDLQMJPQ-UHFFFAOYSA-N
XLogP30.62
TPSA470.61 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002483.80
LogP ≤ 530.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate?
The IUPAC name of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate (CID 157314126) is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate?
The canonical SMILES for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCOC(=O)Nc1cc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21.
What is the InChIKey of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate?
The InChIKey is BDJRTVYDLQMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3.C24H26N4O3.C24H27N3O4.C23H24FN3O3.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-12-32-25(30)27-19-7-5-6-18(15-19)24-22(17-26)21-16-20(28-10-13-31-14-11-28)8-9-23(21)29(24)4-2;1-3-28-22-9-8-19(27-10-12-30-13-11-27)15-20(22)21(16-25)23(28)17-6-5-7-18(14-17)26-24(29)31-4-2;1-6-27-21-13-17(31-15(3)4)9-10-18(21)19(14-25)23(27)16-8-11-22(29-5)20(12-16)26-24(28)30-7-2;1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,27,30);5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,29);8-13,15H,6-7H2,1-5H3,(H,26,28);7-12,14H,5-6H2,1-4H3,(H,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3.
What are the key properties of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate?
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate has a molecular weight of 2483.80 g/mol, XLogP of 30.62, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157314126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).