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

C19H19N3O3S — CID 4810229

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1cccs1
InChIInChI=1S/C19H19N3O3S/c23-16(20-11-14-7-4-10-26-14)12-22-17(24)19(21-18(22)25)9-3-6-13-5-1-2-8-15(13)19/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,23)(H,21,25)
InChIKeyLOODTHZZZIHGFA-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.15
Rot. Bonds4

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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4810229) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4810229
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1cccs1
InChIInChI=1S/C19H19N3O3S/c23-16(20-11-14-7-4-10-26-14)12-22-17(24)19(21-18(22)25)9-3-6-13-5-1-2-8-15(13)19/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,23)(H,21,25)
InChIKeyLOODTHZZZIHGFA-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Proline scaffold, 28
CID 42618125
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4826065
2-{2',5'-dioxo-6,7-dihydro-5H-spiro[1-benzothiophene-4,4'-imidazolidin]-1'-yl}acetonitrile
CID 16316073
Thiantoin
CID 31325
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3873033
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3949143
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 4266964
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4811995
N-(1,1-Dioxidotetrahydrothiophen-3-yl)-2-(4-methyl-4-(naphthalen-1-yl)-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4882187
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 16297290

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 4810229) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1cccs1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LOODTHZZZIHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-16(20-11-14-7-4-10-26-14)12-22-17(24)19(21-18(22)25)9-3-6-13-5-1-2-8-15(13)19/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,23)(H,21,25).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4810229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).