ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

C22H23ClN4O6S — CID 2568804

About ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate (PubChem CID 2568804) has the molecular formula C22H23ClN4O6S and a molecular weight of 506.97 g/mol. Its IUPAC name is ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
• PubChem CID: 2568804
• Molecular Formula: C22H23ClN4O6S
• Molecular Weight: 506.97 g/mol
• Exact Mass: 506.10
• IUPAC Name: ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
• SMILES: CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)sc(C(=O)NC)c1C
• InChI: InChI=1S/C22H23ClN4O6S/c1-5-33-19(30)15-11(2)16(17(29)24-4)34-18(15)25-14(28)10-27-20(31)22(3,26-21(27)32)12-6-8-13(23)9-7-12/h6-9H,5,10H2,1-4H3,(H,24,29)(H,25,28)(H,26,32)/t22-/m1/s1
• InChIKey: GPPYNFUOANPQHW-JOCHJYFZSA-N
• XLogP: 2.65
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.97
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?

The IUPAC name of ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate (CID 2568804) is ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate.

What is the SMILES notation for ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?

The canonical SMILES for ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)sc(C(=O)NC)c1C.

What is the InChIKey of ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?

The InChIKey is GPPYNFUOANPQHW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23ClN4O6S/c1-5-33-19(30)15-11(2)16(17(29)24-4)34-18(15)25-14(28)10-27-20(31)22(3,26-21(27)32)12-6-8-13(23)9-7-12/h6-9H,5,10H2,1-4H3,(H,24,29)(H,25,28)(H,26,32)/t22-/m1/s1.

What are the key properties of ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate?

ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 506.97 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 2568804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).