1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

C115H121N17O13S — CID 157123175

IUPAC1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C26H25N3O3S.C23H25N3O3.2C22H24N4O2.C22H23N3O3/c1-3-15-29-25-16-22(32-2)13-14-23(25)24(17-27)26(29)20-9-11-21(12-10-20)28-33(30,31)18-19-7-5-4-6-8-19;1-4-12-26-21-14-18(28-3)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)25-23(27)29-13-5-2;1-4-12-24-22(27)25-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(28-3)13-20(18)26(21)5-2;1-4-12-26-20-13-17(28-3)10-11-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-4-12-25-20-13-17(27-3)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)28-5-2/h4-14,16,28H,3,15,18H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H,25,27);2*6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyAIFGDJOCASALTL-UHFFFAOYSA-N
MW1981.41 g/mol
LogP25.74
Rot. Bonds33

About 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (PubChem CID 157123175) has the molecular formula C115H121N17O13S and a molecular weight of 1981.41 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
PubChem CID157123175
Molecular FormulaC115H121N17O13S
Molecular Weight1981.41 g/mol
Exact Mass1979.91
IUPAC Name1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C26H25N3O3S.C23H25N3O3.2C22H24N4O2.C22H23N3O3/c1-3-15-29-25-16-22(32-2)13-14-23(25)24(17-27)26(29)20-9-11-21(12-10-20)28-33(30,31)18-19-7-5-4-6-8-19;1-4-12-26-21-14-18(28-3)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)25-23(27)29-13-5-2;1-4-12-24-22(27)25-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(28-3)13-20(18)26(21)5-2;1-4-12-26-20-13-17(28-3)10-11-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-4-12-25-20-13-17(27-3)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)28-5-2/h4-14,16,28H,3,15,18H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H,25,27);2*6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyAIFGDJOCASALTL-UHFFFAOYSA-N
XLogP25.74
TPSA394.84 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.41
LogP ≤ 525.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (CID 157123175) is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The InChIKey is AIFGDJOCASALTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S.C23H25N3O3.2C22H24N4O2.C22H23N3O3/c1-3-15-29-25-16-22(32-2)13-14-23(25)24(17-27)26(29)20-9-11-21(12-10-20)28-33(30,31)18-19-7-5-4-6-8-19;1-4-12-26-21-14-18(28-3)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)25-23(27)29-13-5-2;1-4-12-24-22(27)25-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(28-3)13-20(18)26(21)5-2;1-4-12-26-20-13-17(28-3)10-11-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-4-12-25-20-13-17(27-3)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)28-5-2/h4-14,16,28H,3,15,18H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H,25,27);2*6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);6-11,13H,4-5,12H2,1-3H3,(H,24,26).
What are the key properties of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate has a molecular weight of 1981.41 g/mol, XLogP of 25.74, 33 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157123175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).