2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C23H20N4O3S — CID 41080271

About 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 41080271) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
• PubChem CID: 41080271
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
• SMILES: O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(-c2nccs2)cc1
• InChI: InChI=1S/C23H20N4O3S/c28-19(25-17-9-7-16(8-10-17)20-24-12-13-31-20)14-27-21(29)23(26-22(27)30)11-3-5-15-4-1-2-6-18(15)23/h1-2,4,6-10,12-13H,3,5,11,14H2,(H,25,28)(H,26,30)/t23-/m0/s1
• InChIKey: SWMDAIYLQHNTGH-QHCPKHFHSA-N
• XLogP: 3.53
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 41080271) is 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(-c2nccs2)cc1.

What is the InChIKey of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

The InChIKey is SWMDAIYLQHNTGH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-19(25-17-9-7-16(8-10-17)20-24-12-13-31-20)14-27-21(29)23(26-22(27)30)11-3-5-15-4-1-2-6-18(15)23/h1-2,4,6-10,12-13H,3,5,11,14H2,(H,25,28)(H,26,30)/t23-/m0/s1.

What are the key properties of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 432.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 41080271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).