2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide

About 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide

2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 7771594) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name	2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID	7771594
Molecular Formula	C21H23N3O3S
Molecular Weight	397.50 g/mol
Exact Mass	397.15
IUPAC Name	2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILES	C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccccc1
InChI	InChI=1S/C21H23N3O3S/c1-14(15-6-3-2-4-7-15)12-22-18(25)13-24-19(26)21(23-20(24)27)10-5-8-17-16(21)9-11-28-17/h2-4,6-7,9,11,14H,5,8,10,12-13H2,1H3,(H,22,25)(H,23,27)/t14-,21+/m0/s1
InChIKey	KQBKNHZIIYJTQM-LHSJRXKWSA-N
XLogP	2.75
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide?

The IUPAC name of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide (CID 7771594) is 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide.

What is the SMILES notation for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide?

The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccccc1.

What is the InChIKey of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide?

The InChIKey is KQBKNHZIIYJTQM-LHSJRXKWSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14(15-6-3-2-4-7-15)12-22-18(25)13-24-19(26)21(23-20(24)27)10-5-8-17-16(21)9-11-28-17/h2-4,6-7,9,11,14H,5,8,10,12-13H2,1H3,(H,22,25)(H,23,27)/t14-,21+/m0/s1.

What are the key properties of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide?

2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7771594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).