N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate

C70H74ClN11O9S — CID 158190284

About N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate (PubChem CID 158190284) has the molecular formula C70H74ClN11O9S and a molecular weight of 1280.95 g/mol. Its IUPAC name is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
• PubChem CID: 158190284
• Molecular Formula: C70H74ClN11O9S
• Molecular Weight: 1280.95 g/mol
• Exact Mass: 1279.51
• IUPAC Name: N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
• SMILES: CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.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.C20H18ClN3O2S/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;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/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);3-7,10-11,16,23H,2,8-9H2,1H3
• InChIKey: FZQZHMSZOOCWJQ-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 243.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.95
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate (CID 158190284) is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]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.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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate?

The InChIKey is FZQZHMSZOOCWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4.C25H28N4O3.C20H18ClN3O2S/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;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/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);3-7,10-11,16,23H,2,8-9H2,1H3.

What are the key properties of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]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;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate has a molecular weight of 1280.95 g/mol, XLogP of 13.98, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158190284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).