N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C20H21N3O5S — CID 4882187

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-20(16-8-4-6-13-5-2-3-7-15(13)16)18(25)23(19(26)22-20)11-17(24)21-14-9-10-29(27,28)12-14/h2-8,14H,9-12H2,1H3,(H,21,24)(H,22,26)
InChIKeyNEHWDTNRYXZTKY-UHFFFAOYSA-N
MW415.47 g/mol
LogP0.91
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 4882187) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID4882187
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-20(16-8-4-6-13-5-2-3-7-15(13)16)18(25)23(19(26)22-20)11-17(24)21-14-9-10-29(27,28)12-14/h2-8,14H,9-12H2,1H3,(H,21,24)(H,22,26)
InChIKeyNEHWDTNRYXZTKY-UHFFFAOYSA-N
XLogP0.91
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 4882187) is N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is NEHWDTNRYXZTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-20(16-8-4-6-13-5-2-3-7-15(13)16)18(25)23(19(26)22-20)11-17(24)21-14-9-10-29(27,28)12-14/h2-8,14H,9-12H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4882187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).