1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile

C98H93F10N15O12S2 — CID 158881056

IUPAC1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCOC(=O)NC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C#N)c2cc(OC)ccc21.CCn1c(NC)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C26H21F3N4O2.C22H22N4O4.C19H20F2N2O3S.C18H18F2N2O3S.C13H12F3N3/c1-3-33-23-11-10-20(35-2)14-21(23)22(15-30)24(33)16-6-4-8-18(12-16)31-25(34)32-19-9-5-7-17(13-19)26(27,28)29;1-4-26-19-10-9-16(29-3)12-17(19)18(13-23)20(26)14-7-6-8-15(11-14)24-21(27)25-22(28)30-5-2;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;1-3-26(23,24)21-14-7-4-12(5-8-14)16-10-13-6-9-15(25-18(19)20)11-17(13)22(16)2;1-3-19-11-6-8(13(14,15)16)4-5-9(11)10(7-17)12(19)18-2/h4-14H,3H2,1-2H3,(H2,31,32,34);6-12H,4-5H2,1-3H3,(H2,24,25,27,28);5-12,19,22H,3-4H2,1-2H3;4-11,18,21H,3H2,1-2H3;4-6,18H,3H2,1-2H3
InChIKeyJDAKOGIMPSWCQW-UHFFFAOYSA-N
MW1927.03 g/mol
LogP23.85
Rot. Bonds25

About 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile

1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 158881056) has the molecular formula C98H93F10N15O12S2 and a molecular weight of 1927.03 g/mol. Its IUPAC name is 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
PubChem CID158881056
Molecular FormulaC98H93F10N15O12S2
Molecular Weight1927.03 g/mol
Exact Mass1925.64
IUPAC Name1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCOC(=O)NC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C#N)c2cc(OC)ccc21.CCn1c(NC)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C26H21F3N4O2.C22H22N4O4.C19H20F2N2O3S.C18H18F2N2O3S.C13H12F3N3/c1-3-33-23-11-10-20(35-2)14-21(23)22(15-30)24(33)16-6-4-8-18(12-16)31-25(34)32-19-9-5-7-17(13-19)26(27,28)29;1-4-26-19-10-9-16(29-3)12-17(19)18(13-23)20(26)14-7-6-8-15(11-14)24-21(27)25-22(28)30-5-2;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;1-3-26(23,24)21-14-7-4-12(5-8-14)16-10-13-6-9-15(25-18(19)20)11-17(13)22(16)2;1-3-19-11-6-8(13(14,15)16)4-5-9(11)10(7-17)12(19)18-2/h4-14H,3H2,1-2H3,(H2,31,32,34);6-12H,4-5H2,1-3H3,(H2,24,25,27,28);5-12,19,22H,3-4H2,1-2H3;4-11,18,21H,3H2,1-2H3;4-6,18H,3H2,1-2H3
InChIKeyJDAKOGIMPSWCQW-UHFFFAOYSA-N
XLogP23.85
TPSA345.87 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001927.03
LogP ≤ 523.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile (CID 158881056) is 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile is CCOC(=O)NC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C#N)c2cc(OC)ccc21.CCn1c(NC)c(C#N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is JDAKOGIMPSWCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2.C22H22N4O4.C19H20F2N2O3S.C18H18F2N2O3S.C13H12F3N3/c1-3-33-23-11-10-20(35-2)14-21(23)22(15-30)24(33)16-6-4-8-18(12-16)31-25(34)32-19-9-5-7-17(13-19)26(27,28)29;1-4-26-19-10-9-16(29-3)12-17(19)18(13-23)20(26)14-7-6-8-15(11-14)24-21(27)25-22(28)30-5-2;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;1-3-26(23,24)21-14-7-4-12(5-8-14)16-10-13-6-9-15(25-18(19)20)11-17(13)22(16)2;1-3-19-11-6-8(13(14,15)16)4-5-9(11)10(7-17)12(19)18-2/h4-14H,3H2,1-2H3,(H2,31,32,34);6-12H,4-5H2,1-3H3,(H2,24,25,27,28);5-12,19,22H,3-4H2,1-2H3;4-11,18,21H,3H2,1-2H3;4-6,18H,3H2,1-2H3.
What are the key properties of 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile?
1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 1927.03 g/mol, XLogP of 23.85, 25 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamoyl]carbamate;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 158881056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).