2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C21H19N3O3S — CID 3873033

IUPAC2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C21H19N3O3S/c1-21(16-9-8-14-5-2-3-6-15(14)11-16)19(26)24(20(27)23-21)13-18(25)22-12-17-7-4-10-28-17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyVSMBCLCRXULJHY-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3873033) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3873033
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C21H19N3O3S/c1-21(16-9-8-14-5-2-3-6-15(14)11-16)19(26)24(20(27)23-21)13-18(25)22-12-17-7-4-10-28-17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyVSMBCLCRXULJHY-UHFFFAOYSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.98
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

(R)-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)ethyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-5-(methylamino)hex-2-enamide
CID 10345516
Proline scaffold, 28
CID 42618125
(R)-5-amino-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)ethyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)hex-2-enamide
CID 10600702
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 10649999
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
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',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4810229
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
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 16327577
5-Methyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 16329267

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 3873033) is 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cccs2)C1=O.
What is the InChIKey of 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VSMBCLCRXULJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-21(16-9-8-14-5-2-3-6-15(14)11-16)19(26)24(20(27)23-21)13-18(25)22-12-17-7-4-10-28-17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3873033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).