4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide

C22H32F4N4O4S — CID 20630008

About 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide (PubChem CID 20630008) has the molecular formula C22H32F4N4O4S and a molecular weight of 524.58 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide
• PubChem CID: 20630008
• Molecular Formula: C22H32F4N4O4S
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.21
• IUPAC Name: 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide
• SMILES: CC1CN(c2c(F)c(F)c(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)CC(C)O1
• InChI: InChI=1S/C22H32F4N4O4S/c1-12-10-30(11-13(2)34-12)20-17(25)15(23)19(16(24)18(20)26)27-21(31)29-8-6-14(7-9-29)28-35(32,33)22(3,4)5/h12-14,28H,6-11H2,1-5H3,(H,27,31)
• InChIKey: DZOBBLPLLMEQBR-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide?

The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide (CID 20630008) is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide?

The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide is CC1CN(c2c(F)c(F)c(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)CC(C)O1.

What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide?

The InChIKey is DZOBBLPLLMEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F4N4O4S/c1-12-10-30(11-13(2)34-12)20-17(25)15(23)19(16(24)18(20)26)27-21(31)29-8-6-14(7-9-29)28-35(32,33)22(3,4)5/h12-14,28H,6-11H2,1-5H3,(H,27,31).

What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide?

4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20630008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).