[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate

C20H24N2O5S — CID 8639189

About [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate (PubChem CID 8639189) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate.

Molecular Properties

• Compound Name: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
• PubChem CID: 8639189
• Molecular Formula: C20H24N2O5S
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.14
• IUPAC Name: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
• SMILES: Cc1ccc(C(C)C)cc1OCC(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O
• InChI: InChI=1S/C20H24N2O5S/c1-11(2)14-6-5-12(3)16(9-14)26-10-17(23)27-13(4)19(25)22-20-15(18(21)24)7-8-28-20/h5-9,11,13H,10H2,1-4H3,(H2,21,24)(H,22,25)/t13-/m1/s1
• InChIKey: SJUATDKKLABFFK-CYBMUJFWSA-N
• XLogP: 3.23
• TPSA: 107.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?

The IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate (CID 8639189) is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate.

What is the SMILES notation for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?

The canonical SMILES for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate is Cc1ccc(C(C)C)cc1OCC(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O.

What is the InChIKey of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?

The InChIKey is SJUATDKKLABFFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-11(2)14-6-5-12(3)16(9-14)26-10-17(23)27-13(4)19(25)22-20-15(18(21)24)7-8-28-20/h5-9,11,13H,10H2,1-4H3,(H2,21,24)(H,22,25)/t13-/m1/s1.

What are the key properties of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate has a molecular weight of 404.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8639189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).