3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate

C131H143ClN18O22S4 — CID 157348676

IUPAC3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCn1c(-c2ccc(CN(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(CN(C)S(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.COCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O4.C22H24ClN3O4S.C22H23N3O4.C22H25N3O3S.C21H23N3O4S.C21H23N3O3S/c1-4-12-30-23(27)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-3)14-21(19)26(22)11-13-28-2;1-29-12-11-26-21-14-18(30-2)8-9-19(21)20(15-24)22(26)16-4-6-17(7-5-16)25-31(27,28)13-3-10-23;1-4-29-22(26)24-16-7-5-15(6-8-16)21-19(14-23)18-10-9-17(28-3)13-20(18)25(21)11-12-27-2;1-5-25-21-13-18(28-4)10-11-19(21)20(14-23)22(25)17-9-7-8-16(12-17)15-24(3)29(26,27)6-2;1-4-29(25,26)23-16-7-5-15(6-8-16)21-19(14-22)18-10-9-17(28-3)13-20(18)24(21)11-12-27-2;1-5-24-20-12-17(27-3)10-11-18(20)19(13-22)21(24)16-8-6-15(7-9-16)14-23(2)28(4,25)26/h5-10,14H,4,11-13H2,1-3H3,(H,25,27);4-9,14,25H,3,10-13H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);7-13H,5-6,15H2,1-4H3;5-10,13,23H,4,11-12H2,1-3H3;6-12H,5,14H2,1-4H3
InChIKeyBHGVENCDVKVKHO-UHFFFAOYSA-N
MW2485.41 g/mol
LogP24.59
Rot. Bonds46

About 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate

3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate (PubChem CID 157348676) has the molecular formula C131H143ClN18O22S4 and a molecular weight of 2485.41 g/mol. Its IUPAC name is 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate
PubChem CID157348676
Molecular FormulaC131H143ClN18O22S4
Molecular Weight2485.41 g/mol
Exact Mass2482.92
IUPAC Name3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCn1c(-c2ccc(CN(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(CN(C)S(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.COCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O4.C22H24ClN3O4S.C22H23N3O4.C22H25N3O3S.C21H23N3O4S.C21H23N3O3S/c1-4-12-30-23(27)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-3)14-21(19)26(22)11-13-28-2;1-29-12-11-26-21-14-18(30-2)8-9-19(21)20(15-24)22(26)16-4-6-17(7-5-16)25-31(27,28)13-3-10-23;1-4-29-22(26)24-16-7-5-15(6-8-16)21-19(14-23)18-10-9-17(28-3)13-20(18)25(21)11-12-27-2;1-5-25-21-13-18(28-4)10-11-19(21)20(14-23)22(25)17-9-7-8-16(12-17)15-24(3)29(26,27)6-2;1-4-29(25,26)23-16-7-5-15(6-8-16)21-19(14-22)18-10-9-17(28-3)13-20(18)24(21)11-12-27-2;1-5-24-20-12-17(27-3)10-11-18(20)19(13-22)21(24)16-8-6-15(7-9-16)14-23(2)28(4,25)26/h5-10,14H,4,11-13H2,1-3H3,(H,25,27);4-9,14,25H,3,10-13H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);7-13H,5-6,15H2,1-4H3;5-10,13,23H,4,11-12H2,1-3H3;6-12H,5,14H2,1-4H3
InChIKeyBHGVENCDVKVKHO-UHFFFAOYSA-N
XLogP24.59
TPSA508.38 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.41
LogP ≤ 524.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate?
The IUPAC name of 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate (CID 157348676) is 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate is CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCOC)cc1.CCn1c(-c2ccc(CN(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(CN(C)S(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.COCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate?
The InChIKey is BHGVENCDVKVKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C22H24ClN3O4S.C22H23N3O4.C22H25N3O3S.C21H23N3O4S.C21H23N3O3S/c1-4-12-30-23(27)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-3)14-21(19)26(22)11-13-28-2;1-29-12-11-26-21-14-18(30-2)8-9-19(21)20(15-24)22(26)16-4-6-17(7-5-16)25-31(27,28)13-3-10-23;1-4-29-22(26)24-16-7-5-15(6-8-16)21-19(14-23)18-10-9-17(28-3)13-20(18)25(21)11-12-27-2;1-5-25-21-13-18(28-4)10-11-19(21)20(14-23)22(25)17-9-7-8-16(12-17)15-24(3)29(26,27)6-2;1-4-29(25,26)23-16-7-5-15(6-8-16)21-19(14-22)18-10-9-17(28-3)13-20(18)24(21)11-12-27-2;1-5-24-20-12-17(27-3)10-11-18(20)19(13-22)21(24)16-8-6-15(7-9-16)14-23(2)28(4,25)26/h5-10,14H,4,11-13H2,1-3H3,(H,25,27);4-9,14,25H,3,10-13H2,1-2H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);7-13H,5-6,15H2,1-4H3;5-10,13,23H,4,11-12H2,1-3H3;6-12H,5,14H2,1-4H3.
What are the key properties of 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate?
3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2485.41 g/mol, XLogP of 24.59, 46 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157348676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).