1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate

C142H157F3N22O15S — CID 158087559

About 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate

1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate (PubChem CID 158087559) has the molecular formula C142H157F3N22O15S and a molecular weight of 2501.02 g/mol. Its IUPAC name is 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate
• PubChem CID: 158087559
• Molecular Formula: C142H157F3N22O15S
• Molecular Weight: 2501.02 g/mol
• Exact Mass: 2499.19
• IUPAC Name: 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate
• SMILES: CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCF)cc3)n(CC)c2c1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCN(C)CC3)cc21
• InChI: InChI=1S/C28H33N5O2.C24H28N4O2.C23H26FN3O3S.C23H25N3O3.C22H23FN4O2.C22H22FN3O3/c1-3-33-26-18-23(35-17-16-32-14-12-31(2)13-15-32)10-11-24(26)25(19-29)27(33)20-6-8-22(9-7-20)30-28(34)21-4-5-21;1-4-7-14-26-24(29)27-18-10-8-17(9-11-18)23-21(16-25)20-13-12-19(30-6-3)15-22(20)28(23)5-2;1-3-5-14-31(28,29)26-18-8-6-17(7-9-18)23-21(16-25)20-11-10-19(30-13-12-24)15-22(20)27(23)4-2;1-4-13-29-23(27)25-17-9-7-16(8-10-17)22-20(15-24)19-12-11-18(28-6-3)14-21(19)26(22)5-2;1-3-25-22(28)26-16-7-5-15(6-8-16)21-19(14-24)18-10-9-17(29-12-11-23)13-20(18)27(21)4-2;1-3-26-20-13-17(28-4-2)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)29-12-11-23/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,30,34);8-13,15H,4-7,14H2,1-3H3,(H2,26,27,29);6-11,15,26H,3-5,12-14H2,1-2H3;7-12,14H,4-6,13H2,1-3H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)
• InChIKey: FNRSOUFJWHOBNW-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 468.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 47
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.02
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate?

The IUPAC name of 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate (CID 158087559) is 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate?

The canonical SMILES for 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate is CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCF)cc3)n(CC)c2c1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCN(C)CC3)cc21.

What is the InChIKey of 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate?

The InChIKey is FNRSOUFJWHOBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.C24H28N4O2.C23H26FN3O3S.C23H25N3O3.C22H23FN4O2.C22H22FN3O3/c1-3-33-26-18-23(35-17-16-32-14-12-31(2)13-15-32)10-11-24(26)25(19-29)27(33)20-6-8-22(9-7-20)30-28(34)21-4-5-21;1-4-7-14-26-24(29)27-18-10-8-17(9-11-18)23-21(16-25)20-13-12-19(30-6-3)15-22(20)28(23)5-2;1-3-5-14-31(28,29)26-18-8-6-17(7-9-18)23-21(16-25)20-11-10-19(30-13-12-24)15-22(20)27(23)4-2;1-4-13-29-23(27)25-17-9-7-16(8-10-17)22-20(15-24)19-12-11-18(28-6-3)14-21(19)26(22)5-2;1-3-25-22(28)26-16-7-5-15(6-8-16)21-19(14-24)18-10-9-17(29-12-11-23)13-20(18)27(21)4-2;1-3-26-20-13-17(28-4-2)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)29-12-11-23/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,30,34);8-13,15H,4-7,14H2,1-3H3,(H2,26,27,29);6-11,15,26H,3-5,12-14H2,1-2H3;7-12,14H,4-6,13H2,1-3H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27).

What are the key properties of 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate?

1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate has a molecular weight of 2501.02 g/mol, XLogP of 30.15, 47 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158087559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).