4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

C20H21F2N3O2S — CID 19469767

About 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 19469767) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
• PubChem CID: 19469767
• Molecular Formula: C20H21F2N3O2S
• Molecular Weight: 405.47 g/mol
• Exact Mass: 405.13
• IUPAC Name: 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
• SMILES: CCn1ncc(C(C)NC(=O)c2cc(COc3ccc(F)cc3F)cs2)c1C
• InChI: InChI=1S/C20H21F2N3O2S/c1-4-25-13(3)16(9-23-25)12(2)24-20(26)19-7-14(11-28-19)10-27-18-6-5-15(21)8-17(18)22/h5-9,11-12H,4,10H2,1-3H3,(H,24,26)
• InChIKey: CPJOWYDQPJAKSB-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.47
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?

The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 19469767) is 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?

The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is CCn1ncc(C(C)NC(=O)c2cc(COc3ccc(F)cc3F)cs2)c1C.

What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?

The InChIKey is CPJOWYDQPJAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-4-25-13(3)16(9-23-25)12(2)24-20(26)19-7-14(11-28-19)10-27-18-6-5-15(21)8-17(18)22/h5-9,11-12H,4,10H2,1-3H3,(H,24,26).

What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?

4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).