N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

C121H133ClN18O17S5 — CID 157391745

IUPACN-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCCl)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCSCC3)cc21
InChIInChI=1S/C27H32N4O4.C26H25N3O3S.C24H28N4O4S.C24H28N4O3S2.C20H20ClN3O3S/c1-3-31-25-18-22(35-14-6-11-30-12-15-33-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)34-4-2;1-4-29-25-14-11-20(19-7-6-8-22(15-19)32-3)16-23(25)24(17-27)26(29)18-9-12-21(13-10-18)28-33(30,31)5-2;1-3-28-23-16-20(32-15-12-27-10-13-31-14-11-27)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(2,29)30;1-3-28-23-16-20(31-13-10-27-11-14-32-15-12-27)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(2,29)30;1-3-24-19-12-16(27-11-10-21)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)23-28(2,25)26/h5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);6-16,28H,4-5H2,1-3H3;2*4-9,16,26H,3,10-15H2,1-2H3;4-9,12,23H,3,10-11H2,1-2H3
InChIKeyBMBWIRFLZMXSEM-UHFFFAOYSA-N
MW2307.29 g/mol
LogP21.98
Rot. Bonds39

About N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157391745) has the molecular formula C121H133ClN18O17S5 and a molecular weight of 2307.29 g/mol. Its IUPAC name is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
PubChem CID157391745
Molecular FormulaC121H133ClN18O17S5
Molecular Weight2307.29 g/mol
Exact Mass2304.84
IUPAC NameN-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCCl)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCSCC3)cc21
InChIInChI=1S/C27H32N4O4.C26H25N3O3S.C24H28N4O4S.C24H28N4O3S2.C20H20ClN3O3S/c1-3-31-25-18-22(35-14-6-11-30-12-15-33-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)34-4-2;1-4-29-25-14-11-20(19-7-6-8-22(15-19)32-3)16-23(25)24(17-27)26(29)18-9-12-21(13-10-18)28-33(30,31)5-2;1-3-28-23-16-20(32-15-12-27-10-13-31-14-11-27)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(2,29)30;1-3-28-23-16-20(31-13-10-27-11-14-32-15-12-27)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(2,29)30;1-3-24-19-12-16(27-11-10-21)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)23-28(2,25)26/h5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);6-16,28H,4-5H2,1-3H3;2*4-9,16,26H,3,10-15H2,1-2H3;4-9,12,23H,3,10-11H2,1-2H3
InChIKeyBMBWIRFLZMXSEM-UHFFFAOYSA-N
XLogP21.98
TPSA440.94 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002307.29
LogP ≤ 521.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 157391745) is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCCl)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCSCC3)cc21.
What is the InChIKey of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is BMBWIRFLZMXSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C26H25N3O3S.C24H28N4O4S.C24H28N4O3S2.C20H20ClN3O3S/c1-3-31-25-18-22(35-14-6-11-30-12-15-33-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)34-4-2;1-4-29-25-14-11-20(19-7-6-8-22(15-19)32-3)16-23(25)24(17-27)26(29)18-9-12-21(13-10-18)28-33(30,31)5-2;1-3-28-23-16-20(32-15-12-27-10-13-31-14-11-27)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(2,29)30;1-3-28-23-16-20(31-13-10-27-11-14-32-15-12-27)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(2,29)30;1-3-24-19-12-16(27-11-10-21)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)23-28(2,25)26/h5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);6-16,28H,4-5H2,1-3H3;2*4-9,16,26H,3,10-15H2,1-2H3;4-9,12,23H,3,10-11H2,1-2H3.
What are the key properties of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2307.29 g/mol, XLogP of 21.98, 39 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157391745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).