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

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 41103953) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name	2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID	41103953
Molecular Formula	C19H23N3O5S
Molecular Weight	405.48 g/mol
Exact Mass	405.14
IUPAC Name	2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILES	C[C@]1(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CCS(=O)(=O)C1
InChI	InChI=1S/C19H23N3O5S/c1-18(9-10-28(26,27)12-18)20-15(23)11-22-16(24)19(21-17(22)25)8-4-6-13-5-2-3-7-14(13)19/h2-3,5,7H,4,6,8-12H2,1H3,(H,20,23)(H,21,25)/t18-,19+/m0/s1
InChIKey	BWDRVXFQNFAYGG-RBUKOAKNSA-N
XLogP	0.46
TPSA	112.65 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?

The IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 41103953) is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

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

The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@]1(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CCS(=O)(=O)C1.

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

The InChIKey is BWDRVXFQNFAYGG-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-18(9-10-28(26,27)12-18)20-15(23)11-22-16(24)19(21-17(22)25)8-4-6-13-5-2-3-7-14(13)19/h2-3,5,7H,4,6,8-12H2,1H3,(H,20,23)(H,21,25)/t18-,19+/m0/s1.

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 41103953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).