butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide

C119H119ClN18O18S4 — CID 160874149

About butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide

butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide (PubChem CID 160874149) has the molecular formula C119H119ClN18O18S4 and a molecular weight of 2253.09 g/mol. Its IUPAC name is butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
• PubChem CID: 160874149
• Molecular Formula: C119H119ClN18O18S4
• Molecular Weight: 2253.09 g/mol
• Exact Mass: 2250.75
• IUPAC Name: butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
• SMILES: CCC(C)OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.CCn1c(-c2ccc(O)c(NC(=O)CCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(S(=O)(=O)NC)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1
• InChI: InChI=1S/C23H25N3O3.C20H18ClN3O3.C20H21N3O3S.2C19H19N3O3S.C18H17N3O3S/c1-5-15(3)29-23(27)25-17-9-7-8-16(12-17)22-20(14-24)19-11-10-18(28-4)13-21(19)26(22)6-2;1-3-24-17-9-13(27-2)5-6-14(17)15(11-22)20(24)12-4-7-18(25)16(8-12)23-19(26)10-21;1-4-11-23-19-12-16(26-2)9-10-17(19)18(13-21)20(23)14-5-7-15(8-6-14)22-27(3,24)25;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-10-9-15(25-3)11-18(16)22(19)2;1-4-22-18-11-14(25-3)8-9-16(18)17(12-20)19(22)13-6-5-7-15(10-13)26(23,24)21-2;1-21-17-10-14(24-2)8-9-15(17)16(11-19)18(21)12-4-6-13(7-5-12)20-25(3,22)23/h7-13,15H,5-6H2,1-4H3,(H,25,27);4-9,25H,3,10H2,1-2H3,(H,23,26);5-10,12,22H,4,11H2,1-3H3;2*5-11,21H,4H2,1-3H3;4-10,20H,1-3H3
• InChIKey: SMDRNGDXARAZSB-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 500.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.09
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?

The IUPAC name of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide (CID 160874149) is butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide.

What is the SMILES notation for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?

The canonical SMILES for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide is CCC(C)OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.CCn1c(-c2ccc(O)c(NC(=O)CCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(S(=O)(=O)NC)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C)c2c1.

What is the InChIKey of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?

The InChIKey is SMDRNGDXARAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C20H18ClN3O3.C20H21N3O3S.2C19H19N3O3S.C18H17N3O3S/c1-5-15(3)29-23(27)25-17-9-7-8-16(12-17)22-20(14-24)19-11-10-18(28-4)13-21(19)26(22)6-2;1-3-24-17-9-13(27-2)5-6-14(17)15(11-22)20(24)12-4-7-18(25)16(8-12)23-19(26)10-21;1-4-11-23-19-12-16(26-2)9-10-17(19)18(13-21)20(23)14-5-7-15(8-6-14)22-27(3,24)25;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-10-9-15(25-3)11-18(16)22(19)2;1-4-22-18-11-14(25-3)8-9-16(18)17(12-20)19(22)13-6-5-7-15(10-13)26(23,24)21-2;1-21-17-10-14(24-2)8-9-15(17)16(11-19)18(21)12-4-6-13(7-5-12)20-25(3,22)23/h7-13,15H,5-6H2,1-4H3,(H,25,27);4-9,25H,3,10H2,1-2H3,(H,23,26);5-10,12,22H,4,11H2,1-3H3;2*5-11,21H,4H2,1-3H3;4-10,20H,1-3H3.

What are the key properties of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?

butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 2253.09 g/mol, XLogP of 23.32, 31 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 160874149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).