1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea

C168H180N30O18S3 — CID 158905367

About 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 158905367) has the molecular formula C168H180N30O18S3 and a molecular weight of 3003.68 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea
• PubChem CID: 158905367
• Molecular Formula: C168H180N30O18S3
• Molecular Weight: 3003.68 g/mol
• Exact Mass: 3001.33
• IUPAC Name: 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCS(=O)(=O)C4CCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCS(=O)C4CCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4CCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C29H34N4O5S.C29H34N4O4S.C29H34N4O3S.C28H27N5O2.C27H26N6O2.C26H25N7O2/c1-19(2)31-29(34)32-21-8-6-20(7-9-21)28-26(17-30)25-11-10-23(16-27(25)33(28)22-4-3-5-22)38-14-15-39(35,36)24-12-13-37-18-24;1-19(2)31-29(34)32-21-8-6-20(7-9-21)28-26(17-30)25-11-10-23(16-27(25)33(28)22-4-3-5-22)37-14-15-38(35)24-12-13-36-18-24;1-19(2)31-29(34)32-21-8-6-20(7-9-21)28-26(17-30)25-11-10-23(16-27(25)33(28)22-4-3-5-22)36-14-15-37-24-12-13-35-18-24;1-18(2)31-28(34)32-20-11-9-19(10-12-20)27-24(17-29)23-14-13-22(35-26-8-3-4-15-30-26)16-25(23)33(27)21-6-5-7-21;1-17(2)31-27(34)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-25-12-13-29-16-30-25)14-24(22)33(26)20-4-3-5-20;1-16(2)31-25(34)32-18-8-6-17(7-9-18)24-22(13-27)21-11-10-20(35-26-29-14-28-15-30-26)12-23(21)33(24)19-4-3-5-19/h6-11,16,19,22,24H,3-5,12-15,18H2,1-2H3,(H2,31,32,34);6-11,16,19,22,24H,3-5,12-15,18H2,1-2H3,(H2,31,32,34);6-11,16,19,22,24H,3-5,12-15,18H2,1-2H3,(H2,31,32,34);3-4,8-16,18,21H,5-7H2,1-2H3,(H2,31,32,34);6-14,16-17,20H,3-5H2,1-2H3,(H2,31,32,34);6-12,14-16,19H,3-5H2,1-2H3,(H2,31,32,34)
• InChIKey: JFZAGKUTSNIFKR-UHFFFAOYSA-N
• XLogP: 34.76
• TPSA: 630.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3003.68
LogP ≤ 5	34.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea (CID 158905367) is 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCS(=O)(=O)C4CCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCS(=O)C4CCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4CCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CCC2)cc1.

What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

The InChIKey is JFZAGKUTSNIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O5S.C29H34N4O4S.C29H34N4O3S.C28H27N5O2.C27H26N6O2.C26H25N7O2/c1-19(2)31-29(34)32-21-8-6-20(7-9-21)28-26(17-30)25-11-10-23(16-27(25)33(28)22-4-3-5-22)38-14-15-39(35,36)24-12-13-37-18-24;1-19(2)31-29(34)32-21-8-6-20(7-9-21)28-26(17-30)25-11-10-23(16-27(25)33(28)22-4-3-5-22)37-14-15-38(35)24-12-13-36-18-24;1-19(2)31-29(34)32-21-8-6-20(7-9-21)28-26(17-30)25-11-10-23(16-27(25)33(28)22-4-3-5-22)36-14-15-37-24-12-13-35-18-24;1-18(2)31-28(34)32-20-11-9-19(10-12-20)27-24(17-29)23-14-13-22(35-26-8-3-4-15-30-26)16-25(23)33(27)21-6-5-7-21;1-17(2)31-27(34)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-25-12-13-29-16-30-25)14-24(22)33(26)20-4-3-5-20;1-16(2)31-25(34)32-18-8-6-17(7-9-18)24-22(13-27)21-11-10-20(35-26-29-14-28-15-30-26)12-23(21)33(24)19-4-3-5-19/h6-11,16,19,22,24H,3-5,12-15,18H2,1-2H3,(H2,31,32,34);6-11,16,19,22,24H,3-5,12-15,18H2,1-2H3,(H2,31,32,34);6-11,16,19,22,24H,3-5,12-15,18H2,1-2H3,(H2,31,32,34);3-4,8-16,18,21H,5-7H2,1-2H3,(H2,31,32,34);6-14,16-17,20H,3-5H2,1-2H3,(H2,31,32,34);6-12,14-16,19H,3-5H2,1-2H3,(H2,31,32,34).

What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?

1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 3003.68 g/mol, XLogP of 34.76, 45 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfonyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 158905367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).