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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

C138H146Cl2N20O17S2 — CID 159344054

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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 159344054) has the molecular formula C138H146Cl2N20O17S2 and a molecular weight of 2491.85 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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
• PubChem CID: 159344054
• Molecular Formula: C138H146Cl2N20O17S2
• Molecular Weight: 2491.85 g/mol
• Exact Mass: 2489.00
• IUPAC Name: 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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
• SMILES: C=CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)OCCOC)c2)c(C#N)c2cc(N3CCOCC3)ccc21
• InChI: InChI=1S/C25H28N4O4.C25H28N4O3.C24H27N3O3.C24H25N3O3.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-29-23-8-7-20(28-9-11-32-12-10-28)16-21(23)22(17-26)24(29)18-5-4-6-19(15-18)27-25(30)33-14-13-31-2;1-3-12-32-25(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;2*1-5-12-29-24(28)26-18-9-7-8-17(13-18)23-21(15-25)20-11-10-19(30-16(3)4)14-22(20)27(23)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/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);5-9,15-16H,3-4,10-14H2,1-2H3,(H,27,30);7-11,13-14,16H,5-6,12H2,1-4H3,(H,26,28);5,7-11,13-14,16H,1,6,12H2,2-4H3,(H,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3
• InChIKey: LGMOBWSSMHRUOC-UHFFFAOYSA-N
• XLogP: 30.66
• TPSA: 470.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2491.85
LogP ≤ 5	30.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (CID 159344054) 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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is C=CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)OCCOC)c2)c(C#N)c2cc(N3CCOCC3)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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?

The InChIKey is LGMOBWSSMHRUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4.C25H28N4O3.C24H27N3O3.C24H25N3O3.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-29-23-8-7-20(28-9-11-32-12-10-28)16-21(23)22(17-26)24(29)18-5-4-6-19(15-18)27-25(30)33-14-13-31-2;1-3-12-32-25(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;2*1-5-12-29-24(28)26-18-9-7-8-17(13-18)23-21(15-25)20-11-10-19(30-16(3)4)14-22(20)27(23)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/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);5-9,15-16H,3-4,10-14H2,1-2H3,(H,27,30);7-11,13-14,16H,5-6,12H2,1-4H3,(H,26,28);5,7-11,13-14,16H,1,6,12H2,2-4H3,(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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 2491.85 g/mol, XLogP of 30.66, 38 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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159344054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).