1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile

C107H110ClN15O15S3 — CID 160783921

IUPAC1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H27N3O3.C22H23N3O3.C21H21N3O3S.C20H21N3O3S.C19H18ClN3O3S/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-4-25-21-13-18(27-3)9-10-19(21)20(14-23)22(25)16-5-7-17(8-6-16)28-12-11-24-15(2)26;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-6-15(7-5-14)23-28(25,26)17-9-10-17;1-5-23-19-12-15(26-4)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)27(24,25)22(2)3;1-3-23-18-10-15(26-2)8-9-16(18)17(11-21)19(23)13-4-6-14(7-5-13)22-27(24,25)12-20/h5-10,15,17H,4,11-14H2,1-3H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-8,11-12,17,23H,3,9-10H2,1-2H3;6-12H,5H2,1-4H3;4-10,22H,3,12H2,1-2H3
InChIKeySAYKZTNRQWVDQU-UHFFFAOYSA-N
MW1977.80 g/mol
LogP19.90
Rot. Bonds29

About 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile

1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (PubChem CID 160783921) has the molecular formula C107H110ClN15O15S3 and a molecular weight of 1977.80 g/mol. Its IUPAC name is 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.

Molecular Properties

Compound Name1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
PubChem CID160783921
Molecular FormulaC107H110ClN15O15S3
Molecular Weight1977.80 g/mol
Exact Mass1975.72
IUPAC Name1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H27N3O3.C22H23N3O3.C21H21N3O3S.C20H21N3O3S.C19H18ClN3O3S/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-4-25-21-13-18(27-3)9-10-19(21)20(14-23)22(25)16-5-7-17(8-6-16)28-12-11-24-15(2)26;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-6-15(7-5-14)23-28(25,26)17-9-10-17;1-5-23-19-12-15(26-4)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)27(24,25)22(2)3;1-3-23-18-10-15(26-2)8-9-16(18)17(11-21)19(23)13-4-6-14(7-5-13)22-27(24,25)12-20/h5-10,15,17H,4,11-14H2,1-3H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-8,11-12,17,23H,3,9-10H2,1-2H3;6-12H,5H2,1-4H3;4-10,22H,3,12H2,1-2H3
InChIKeySAYKZTNRQWVDQU-UHFFFAOYSA-N
XLogP19.90
TPSA387.34 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001977.80
LogP ≤ 519.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The IUPAC name of 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (CID 160783921) is 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.
What is the SMILES notation for 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The canonical SMILES for 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The InChIKey is SAYKZTNRQWVDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C22H23N3O3.C21H21N3O3S.C20H21N3O3S.C19H18ClN3O3S/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-4-25-21-13-18(27-3)9-10-19(21)20(14-23)22(25)16-5-7-17(8-6-16)28-12-11-24-15(2)26;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-6-15(7-5-14)23-28(25,26)17-9-10-17;1-5-23-19-12-15(26-4)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)27(24,25)22(2)3;1-3-23-18-10-15(26-2)8-9-16(18)17(11-21)19(23)13-4-6-14(7-5-13)22-27(24,25)12-20/h5-10,15,17H,4,11-14H2,1-3H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-8,11-12,17,23H,3,9-10H2,1-2H3;6-12H,5H2,1-4H3;4-10,22H,3,12H2,1-2H3.
What are the key properties of 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile has a molecular weight of 1977.80 g/mol, XLogP of 19.90, 29 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is sourced from PubChem (CID 160783921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).