4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile

C103H106N16O16S3 — CID 159575450

IUPAC4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile
SMILESCCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H26N4O3.C22H23N3O4S.C21H21N3O3.C19H19N3O3S.C18H17N3O3S/c1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-25-21-14-17(28-2)6-9-19(21)20(15-23)22(25)16-4-7-18(8-5-16)30(26,27)24-10-12-29-13-11-24;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23/h6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,14H,3,10-13H2,1-2H3;4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23)
InChIKeyMIISDBHPMDVMRH-UHFFFAOYSA-N
MW1920.28 g/mol
LogP16.44
Rot. Bonds30

About 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile

4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile (PubChem CID 159575450) has the molecular formula C103H106N16O16S3 and a molecular weight of 1920.28 g/mol. Its IUPAC name is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile
PubChem CID159575450
Molecular FormulaC103H106N16O16S3
Molecular Weight1920.28 g/mol
Exact Mass1918.71
IUPAC Name4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile
SMILESCCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H26N4O3.C22H23N3O4S.C21H21N3O3.C19H19N3O3S.C18H17N3O3S/c1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-25-21-14-17(28-2)6-9-19(21)20(15-23)22(25)16-4-7-18(8-5-16)30(26,27)24-10-12-29-13-11-24;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23/h6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,14H,3,10-13H2,1-2H3;4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23)
InChIKeyMIISDBHPMDVMRH-UHFFFAOYSA-N
XLogP16.44
TPSA431.38 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.28
LogP ≤ 516.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile?
The IUPAC name of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile (CID 159575450) is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile.
What is the SMILES notation for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile?
The canonical SMILES for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile is CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile?
The InChIKey is MIISDBHPMDVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3.C22H23N3O4S.C21H21N3O3.C19H19N3O3S.C18H17N3O3S/c1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-25-21-14-17(28-2)6-9-19(21)20(15-23)22(25)16-4-7-18(8-5-16)30(26,27)24-10-12-29-13-11-24;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23/h6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,14H,3,10-13H2,1-2H3;4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23).
What are the key properties of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile?
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile has a molecular weight of 1920.28 g/mol, XLogP of 16.44, 30 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile is sourced from PubChem (CID 159575450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).