N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide

C19H19F2N3O3S — CID 18535317

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide (PubChem CID 18535317) has the molecular formula C19H19F2N3O3S and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
• PubChem CID: 18535317
• Molecular Formula: C19H19F2N3O3S
• Molecular Weight: 407.44 g/mol
• Exact Mass: 407.11
• IUPAC Name: N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
• SMILES: O=C(NC1CC2CCC1N2)c1ccc(Oc2cccc(NC(=O)C(F)F)c2)s1
• InChI: InChI=1S/C19H19F2N3O3S/c20-17(21)19(26)23-10-2-1-3-12(8-10)27-16-7-6-15(28-16)18(25)24-14-9-11-4-5-13(14)22-11/h1-3,6-8,11,13-14,17,22H,4-5,9H2,(H,23,26)(H,24,25)
• InChIKey: VNGFMSIDWADLIV-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.44
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide?

The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide (CID 18535317) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide.

What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide?

The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(Oc2cccc(NC(=O)C(F)F)c2)s1.

What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide?

The InChIKey is VNGFMSIDWADLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3S/c20-17(21)19(26)23-10-2-1-3-12(8-10)27-16-7-6-15(28-16)18(25)24-14-9-11-4-5-13(14)22-11/h1-3,6-8,11,13-14,17,22H,4-5,9H2,(H,23,26)(H,24,25).

What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide?

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide is sourced from PubChem (CID 18535317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).