2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C20H20ClN5O4S2 — CID 52910012

About 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 52910012) has the molecular formula C20H20ClN5O4S2 and a molecular weight of 494.00 g/mol. Its IUPAC name is 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 52910012
• Molecular Formula: C20H20ClN5O4S2
• Molecular Weight: 494.00 g/mol
• Exact Mass: 493.06
• IUPAC Name: 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O
• InChI: InChI=1S/C20H20ClN5O4S2/c1-3-8-25(10-15-23-24-17(30-15)12-5-4-9-31-12)16(27)11-26-18(28)20(2,22-19(26)29)13-6-7-14(21)32-13/h4-7,9H,3,8,10-11H2,1-2H3,(H,22,29)/t20-/m0/s1
• InChIKey: FVYJEZBQTUAYKD-FQEVSTJZSA-N
• XLogP: 3.72
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.00
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 52910012) is 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O.

What is the InChIKey of 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The InChIKey is FVYJEZBQTUAYKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20ClN5O4S2/c1-3-8-25(10-15-23-24-17(30-15)12-5-4-9-31-12)16(27)11-26-18(28)20(2,22-19(26)29)13-6-7-14(21)32-13/h4-7,9H,3,8,10-11H2,1-2H3,(H,22,29)/t20-/m0/s1.

What are the key properties of 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 494.00 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(5-chlorothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 52910012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).