2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

C134H142ClFN18O18S2 — CID 157269989

IUPAC2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCn1c(-c2ccc(N(C)S(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2cccc(NS(=O)(=O)CCC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H27N3O3S.C23H23N3O3.C23H25N3O3.C22H22FN3O3.C22H25N3O3S.C21H20ClN3O3/c1-6-13-26-22-14-19(29-5)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25(4)30(27,28)16(2)3;1-4-25-21-13-18(29-15(2)3)9-10-19(21)20(14-24)22(25)16-5-7-17(8-6-16)26-11-12-28-23(26)27;1-5-12-26-21-13-18(28-4)10-11-19(21)20(14-24)22(26)16-6-8-17(9-7-16)25-23(27)29-15(2)3;1-3-11-26-20-13-17(28-2)8-9-18(20)19(14-24)21(26)15-4-6-16(7-5-15)25-22(27)29-12-10-23;1-4-11-25-21-14-18(28-3)9-10-19(21)20(15-23)22(25)16-7-6-8-17(13-16)24-29(26,27)12-5-2;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/h7-12,14,16H,6,13H2,1-5H3;5-10,13,15H,4,11-12H2,1-3H3;6-11,13,15H,5,12H2,1-4H3,(H,25,27);4-9,13H,3,10-12H2,1-2H3,(H,25,27);6-10,13-14,24H,4-5,11-12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyAYKRCJPVLMBGLI-UHFFFAOYSA-N
MW2411.30 g/mol
LogP30.13
Rot. Bonds39

About 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (PubChem CID 157269989) has the molecular formula C134H142ClFN18O18S2 and a molecular weight of 2411.30 g/mol. Its IUPAC name is 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
PubChem CID157269989
Molecular FormulaC134H142ClFN18O18S2
Molecular Weight2411.30 g/mol
Exact Mass2408.99
IUPAC Name2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCn1c(-c2ccc(N(C)S(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2cccc(NS(=O)(=O)CCC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H27N3O3S.C23H23N3O3.C23H25N3O3.C22H22FN3O3.C22H25N3O3S.C21H20ClN3O3/c1-6-13-26-22-14-19(29-5)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25(4)30(27,28)16(2)3;1-4-25-21-13-18(29-15(2)3)9-10-19(21)20(14-24)22(25)16-5-7-17(8-6-16)26-11-12-28-23(26)27;1-5-12-26-21-13-18(28-4)10-11-19(21)20(14-24)22(26)16-6-8-17(9-7-16)25-23(27)29-15(2)3;1-3-11-26-20-13-17(28-2)8-9-18(20)19(14-24)21(26)15-4-6-16(7-5-15)25-22(27)29-12-10-23;1-4-11-25-21-14-18(28-3)9-10-19(21)20(15-23)22(25)16-7-6-8-17(13-16)24-29(26,27)12-5-2;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/h7-12,14,16H,6,13H2,1-5H3;5-10,13,15H,4,11-12H2,1-3H3;6-11,13,15H,5,12H2,1-4H3,(H,25,27);4-9,13H,3,10-12H2,1-2H3,(H,25,27);6-10,13-14,24H,4-5,11-12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyAYKRCJPVLMBGLI-UHFFFAOYSA-N
XLogP30.13
TPSA455.78 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002411.30
LogP ≤ 530.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (CID 157269989) is 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is CCCn1c(-c2ccc(N(C)S(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2cccc(NS(=O)(=O)CCC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The InChIKey is AYKRCJPVLMBGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S.C23H23N3O3.C23H25N3O3.C22H22FN3O3.C22H25N3O3S.C21H20ClN3O3/c1-6-13-26-22-14-19(29-5)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25(4)30(27,28)16(2)3;1-4-25-21-13-18(29-15(2)3)9-10-19(21)20(14-24)22(25)16-5-7-17(8-6-16)26-11-12-28-23(26)27;1-5-12-26-21-13-18(28-4)10-11-19(21)20(14-24)22(26)16-6-8-17(9-7-16)25-23(27)29-15(2)3;1-3-11-26-20-13-17(28-2)8-9-18(20)19(14-24)21(26)15-4-6-16(7-5-15)25-22(27)29-12-10-23;1-4-11-25-21-14-18(28-3)9-10-19(21)20(15-23)22(25)16-7-6-8-17(13-16)24-29(26,27)12-5-2;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/h7-12,14,16H,6,13H2,1-5H3;5-10,13,15H,4,11-12H2,1-3H3;6-11,13,15H,5,12H2,1-4H3,(H,25,27);4-9,13H,3,10-12H2,1-2H3,(H,25,27);6-10,13-14,24H,4-5,11-12H2,1-3H3;4-9,12H,3,10-11H2,1-2H3,(H,24,26).
What are the key properties of 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate has a molecular weight of 2411.30 g/mol, XLogP of 30.13, 39 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylpropane-2-sulfonamide;N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157269989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).