N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide

C24H29N3O7S — CID 67065812

About N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide

N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide (PubChem CID 67065812) has the molecular formula C24H29N3O7S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide
• PubChem CID: 67065812
• Molecular Formula: C24H29N3O7S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.17
• IUPAC Name: N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide
• SMILES: CCNC(=O)COc1cc(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)COC)c2)[nH]n1
• InChI: InChI=1S/C24H29N3O7S/c1-5-25-23(28)15-32-24-13-22(26-27-24)17-10-19(33-16(2)14-31-3)12-20(11-17)34-18-6-8-21(9-7-18)35(4,29)30/h6-13,16H,5,14-15H2,1-4H3,(H,25,28)(H,26,27)
• InChIKey: WXYQDHTWLULQNM-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 128.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide?

The IUPAC name of N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide (CID 67065812) is N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide.

What is the SMILES notation for N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide?

The canonical SMILES for N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide is CCNC(=O)COc1cc(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)COC)c2)[nH]n1.

What is the InChIKey of N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide?

The InChIKey is WXYQDHTWLULQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7S/c1-5-25-23(28)15-32-24-13-22(26-27-24)17-10-19(33-16(2)14-31-3)12-20(11-17)34-18-6-8-21(9-7-18)35(4,29)30/h6-13,16H,5,14-15H2,1-4H3,(H,25,28)(H,26,27).

What are the key properties of N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide?

N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide has a molecular weight of 503.58 g/mol, XLogP of 3.20, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide is sourced from PubChem (CID 67065812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).