bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C126H122Cl4N20O13S — CID 157248030

About bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 157248030) has the molecular formula C126H122Cl4N20O13S and a molecular weight of 2298.37 g/mol. Its IUPAC name is bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 157248030
• Molecular Formula: C126H122Cl4N20O13S
• Molecular Weight: 2298.37 g/mol
• Exact Mass: 2294.80
• IUPAC Name: bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: C=Cn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C22H23N3O3.2C21H21ClN4O.C21H20ClN3O3.C21H19N3O3S.C20H18ClN3O2/c1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2;2*1-3-11-24-21(27)25-16-8-5-14(6-9-16)20-18(13-23)17-12-15(22)7-10-19(17)26(20)4-2;1-3-25-19-12-16(27-2)8-9-17(19)18(13-23)20(25)14-4-6-15(7-5-14)24-21(26)28-11-10-22;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-6-15(7-5-14)23-28(25,26)17-9-10-17;1-3-24-18-10-7-14(21)11-16(18)17(12-22)19(24)13-5-8-15(9-6-13)23-20(25)26-4-2/h6-11,13H,4-5,12H2,1-3H3,(H,24,26);2*5-10,12H,3-4,11H2,1-2H3,(H2,24,25,27);4-9,12H,3,10-11H2,1-2H3,(H,24,26);3-8,11-12,17,23H,1,9-10H2,2H3;5-11H,3-4H2,1-2H3,(H,23,25)
• InChIKey: AVZZLFPSOMUFTI-UHFFFAOYSA-N
• XLogP: 30.55
• TPSA: 443.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.37
LogP ≤ 5	30.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 157248030) is bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is C=Cn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is AVZZLFPSOMUFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.2C21H21ClN4O.C21H20ClN3O3.C21H19N3O3S.C20H18ClN3O2/c1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2;2*1-3-11-24-21(27)25-16-8-5-14(6-9-16)20-18(13-23)17-12-15(22)7-10-19(17)26(20)4-2;1-3-25-19-12-16(27-2)8-9-17(19)18(13-23)20(25)14-4-6-15(7-5-14)24-21(26)28-11-10-22;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-6-15(7-5-14)23-28(25,26)17-9-10-17;1-3-24-18-10-7-14(21)11-16(18)17(12-22)19(24)13-5-8-15(9-6-13)23-20(25)26-4-2/h6-11,13H,4-5,12H2,1-3H3,(H,24,26);2*5-10,12H,3-4,11H2,1-2H3,(H2,24,25,27);4-9,12H,3,10-11H2,1-2H3,(H,24,26);3-8,11-12,17,23H,1,9-10H2,2H3;5-11H,3-4H2,1-2H3,(H,23,25).

What are the key properties of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2298.37 g/mol, XLogP of 30.55, 32 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157248030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).