N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C133H135ClN18O21S — CID 159129094

About N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 159129094) has the molecular formula C133H135ClN18O21S and a molecular weight of 2389.17 g/mol. Its IUPAC name is N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 159129094
• Molecular Formula: C133H135ClN18O21S
• Molecular Weight: 2389.17 g/mol
• Exact Mass: 2386.95
• IUPAC Name: N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)OC3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OC)ccc21.CNC1C(c2cccc(NC(=O)OC3CCOCC3)c2)=C(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C24H25N3O4.2C23H23N3O4.C22H22ClN3O3.C21H21N3O3.C20H21N3O3S/c1-26-23-20-13-18(29-2)6-7-19(20)21(14-25)22(23)15-4-3-5-16(12-15)27-24(28)31-17-8-10-30-11-9-17;2*1-3-26-21-12-17(28-2)7-8-19(21)20(13-24)22(26)15-5-4-6-16(11-15)25-23(27)30-18-9-10-29-14-18;1-3-26-20-13-17(29-11-10-23)8-9-18(20)19(14-24)21(26)15-6-5-7-16(12-15)25-22(27)28-4-2;1-4-24-19-10-9-16(26-3)12-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-19-10-9-16(26-3)12-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2/h3-7,12-13,17,23,26H,8-11H2,1-2H3,(H,27,28);2*4-8,11-12,18H,3,9-10,14H2,1-2H3,(H,25,27);5-9,12-13H,3-4,10-11H2,1-2H3,(H,25,27);6-12H,4-5H2,1-3H3,(H,23,25);6-12,22H,4-5H2,1-3H3/t;18-;;;;/m.1..../s1
• InChIKey: KGQPNHWZIGKMCO-LOCSOLNBSA-N
• XLogP: 27.36
• TPSA: 500.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.17
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 159129094) is N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)OC3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OC)ccc21.CNC1C(c2cccc(NC(=O)OC3CCOCC3)c2)=C(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is KGQPNHWZIGKMCO-LOCSOLNBSA-N. The full InChI is InChI=1S/C24H25N3O4.2C23H23N3O4.C22H22ClN3O3.C21H21N3O3.C20H21N3O3S/c1-26-23-20-13-18(29-2)6-7-19(20)21(14-25)22(23)15-4-3-5-16(12-15)27-24(28)31-17-8-10-30-11-9-17;2*1-3-26-21-12-17(28-2)7-8-19(21)20(13-24)22(26)15-5-4-6-16(11-15)25-23(27)30-18-9-10-29-14-18;1-3-26-20-13-17(29-11-10-23)8-9-18(20)19(14-24)21(26)15-6-5-7-16(12-15)25-22(27)28-4-2;1-4-24-19-10-9-16(26-3)12-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-19-10-9-16(26-3)12-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2/h3-7,12-13,17,23,26H,8-11H2,1-2H3,(H,27,28);2*4-8,11-12,18H,3,9-10,14H2,1-2H3,(H,25,27);5-9,12-13H,3-4,10-11H2,1-2H3,(H,25,27);6-12H,4-5H2,1-3H3,(H,23,25);6-12,22H,4-5H2,1-3H3/t;18-;;;;/m.1..../s1.

What are the key properties of N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2389.17 g/mol, XLogP of 27.36, 33 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;oxan-4-yl N-[3-[3-cyano-6-methoxy-1-(methylamino)-1H-inden-2-yl]phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159129094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).