N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C23H29N3O5S — CID 153009223

About N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 153009223) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 153009223
• Molecular Formula: C23H29N3O5S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.18
• IUPAC Name: N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: CCN(C(=O)CN1CC(c2ccc(OC)c(O[C@@H]3CCOC3)c2)CC1=O)c1nc(C)cs1
• InChI: InChI=1S/C23H29N3O5S/c1-4-26(23-24-15(2)14-32-23)22(28)12-25-11-17(10-21(25)27)16-5-6-19(29-3)20(9-16)31-18-7-8-30-13-18/h5-6,9,14,17-18H,4,7-8,10-13H2,1-3H3/t17?,18-/m1/s1
• InChIKey: UZSPAMHTYRWZQD-QRWMCTBCSA-N
• XLogP: 3.00
• TPSA: 81.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 153009223) is N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCN(C(=O)CN1CC(c2ccc(OC)c(O[C@@H]3CCOC3)c2)CC1=O)c1nc(C)cs1.

What is the InChIKey of N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is UZSPAMHTYRWZQD-QRWMCTBCSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-4-26(23-24-15(2)14-32-23)22(28)12-25-11-17(10-21(25)27)16-5-6-19(29-3)20(9-16)31-18-7-8-30-13-18/h5-6,9,14,17-18H,4,7-8,10-13H2,1-3H3/t17?,18-/m1/s1.

What are the key properties of N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 459.57 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 153009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).