bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate

C162H166F6N22O24S6 — CID 159850417

About bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate

bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 159850417) has the molecular formula C162H166F6N22O24S6 and a molecular weight of 3111.63 g/mol. Its IUPAC name is bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 159850417
• Molecular Formula: C162H166F6N22O24S6
• Molecular Weight: 3111.63 g/mol
• Exact Mass: 3109.07
• IUPAC Name: bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2CC2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccc4C(F)(F)F)cc3n2C2CCC2)c(C)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C(F)(F)F)n4)cc3n2C2CCC2)c(C)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C)n4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C30H28F3N3O3S.C28H26F3N5O3S.C27H27N5O3S.2C26H29N3O5S.C25H27N3O5S/c1-3-15-40(37,38)35-20-11-13-23(19(2)16-20)29-25(18-34)24-14-12-22(17-27(24)36(29)21-7-6-8-21)39-28-10-5-4-9-26(28)30(31,32)33;1-3-13-40(37,38)35-18-7-9-21(17(2)14-18)26-23(16-32)22-10-8-20(15-24(22)36(26)19-5-4-6-19)39-27-33-12-11-25(34-27)28(29,30)31;1-3-15-36(33,34)31-20-9-7-19(8-10-20)26-24(17-28)23-12-11-22(35-27-29-14-13-18(2)30-27)16-25(23)32(26)21-5-4-6-21;2*1-26(2,3)34-25(30)28-19-9-7-18(8-10-19)24-22(14-27)21-12-11-20(33-16-35(4,31)32)13-23(21)29(24)15-17-5-6-17;1-16(2)33-25(29)27-19-8-6-18(7-9-19)24-22(13-26)21-11-10-20(32-15-34(3,30)31)12-23(21)28(24)14-17-4-5-17/h4-5,9-14,16-17,21,35H,3,6-8,15H2,1-2H3;7-12,14-15,19,35H,3-6,13H2,1-2H3;7-14,16,21,31H,3-6,15H2,1-2H3;2*7-13,17H,5-6,15-16H2,1-4H3,(H,28,30);6-12,16-17H,4-5,14-15H2,1-3H3,(H,27,29)
• InChIKey: NPVZYROCNVYUKJ-UHFFFAOYSA-N
• XLogP: 36.65
• TPSA: 635.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 46
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3111.63
LogP ≤ 5	36.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate (CID 159850417) is bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCS(C)(=O)=O)cc3n2CC2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccc4C(F)(F)F)cc3n2C2CCC2)c(C)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C(F)(F)F)n4)cc3n2C2CCC2)c(C)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C)n4)cc3n2C2CCC2)cc1.

What is the InChIKey of bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is NPVZYROCNVYUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O3S.C28H26F3N5O3S.C27H27N5O3S.2C26H29N3O5S.C25H27N3O5S/c1-3-15-40(37,38)35-20-11-13-23(19(2)16-20)29-25(18-34)24-14-12-22(17-27(24)36(29)21-7-6-8-21)39-28-10-5-4-9-26(28)30(31,32)33;1-3-13-40(37,38)35-18-7-9-21(17(2)14-18)26-23(16-32)22-10-8-20(15-24(22)36(26)19-5-4-6-19)39-27-33-12-11-25(34-27)28(29,30)31;1-3-15-36(33,34)31-20-9-7-19(8-10-20)26-24(17-28)23-12-11-22(35-27-29-14-13-18(2)30-27)16-25(23)32(26)21-5-4-6-21;2*1-26(2,3)34-25(30)28-19-9-7-18(8-10-19)24-22(14-27)21-12-11-20(33-16-35(4,31)32)13-23(21)29(24)15-17-5-6-17;1-16(2)33-25(29)27-19-8-6-18(7-9-19)24-22(13-26)21-11-10-20(32-15-34(3,30)31)12-23(21)28(24)14-17-4-5-17/h4-5,9-14,16-17,21,35H,3,6-8,15H2,1-2H3;7-12,14-15,19,35H,3-6,13H2,1-2H3;7-14,16,21,31H,3-6,15H2,1-2H3;2*7-13,17H,5-6,15-16H2,1-4H3,(H,28,30);6-12,16-17H,4-5,14-15H2,1-3H3,(H,27,29).

What are the key properties of bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate?

bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 3111.63 g/mol, XLogP of 36.65, 46 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate);N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(trifluoromethyl)phenoxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159850417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).