butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C127H126N18O18S2 — CID 157082525

About butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 157082525) has the molecular formula C127H126N18O18S2 and a molecular weight of 2256.65 g/mol. Its IUPAC name is butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 157082525
• Molecular Formula: C127H126N18O18S2
• Molecular Weight: 2256.65 g/mol
• Exact Mass: 2254.89
• IUPAC Name: butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: C#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.C=CC(C)OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.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(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H25N3O3.C23H23N3O3.C22H19N3O3.C20H21N3O3S.C20H19N3O3.C19H19N3O3S/c2*1-5-15(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;1-4-11-28-22(26)24-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(27-3)13-20(18)25(21)5-2;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;1-4-23-18-11-15(25-2)8-9-16(18)17(12-21)19(23)13-6-5-7-14(10-13)22-20(24)26-3;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/h7-13,15H,5-6H2,1-4H3,(H,25,27);5,7-13,15H,1,6H2,2-4H3,(H,25,27);1,6-10,12-13H,5,11H2,2-3H3,(H,24,26);5-10,12,22H,4,11H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3
• InChIKey: ADSFVICXGWYZRS-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 473.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.65
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 157082525) is butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is C#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.C=CC(C)OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.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(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is ADSFVICXGWYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C23H23N3O3.C22H19N3O3.C20H21N3O3S.C20H19N3O3.C19H19N3O3S/c2*1-5-15(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;1-4-11-28-22(26)24-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(27-3)13-20(18)25(21)5-2;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;1-4-23-18-11-15(25-2)8-9-16(18)17(12-21)19(23)13-6-5-7-14(10-13)22-20(24)26-3;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/h7-13,15H,5-6H2,1-4H3,(H,25,27);5,7-13,15H,1,6H2,2-4H3,(H,25,27);1,6-10,12-13H,5,11H2,2-3H3,(H,24,26);5-10,12,22H,4,11H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3.

What are the key properties of butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

butan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2256.65 g/mol, XLogP of 27.12, 32 rotatable bonds, 6 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;but-3-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).