N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C18H22FN3O5S — CID 24979222

IUPACN-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C18H22FN3O5S/c1-3-18(12-4-6-13(19)7-5-12)16(24)22(17(25)20-18)10-15(23)21(2)14-8-9-28(26,27)11-14/h4-7,14H,3,8-11H2,1-2H3,(H,20,25)
InChIKeyNRWBMARIVNILOW-UHFFFAOYSA-N
MW411.46 g/mol
LogP0.63
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 24979222) has the molecular formula C18H22FN3O5S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID24979222
Molecular FormulaC18H22FN3O5S
Molecular Weight411.46 g/mol
Exact Mass411.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C18H22FN3O5S/c1-3-18(12-4-6-13(19)7-5-12)16(24)22(17(25)20-18)10-15(23)21(2)14-8-9-28(26,27)11-14/h4-7,14H,3,8-11H2,1-2H3,(H,20,25)
InChIKeyNRWBMARIVNILOW-UHFFFAOYSA-N
XLogP0.63
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.63
H-Bond Donors ≤ 51
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-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 24979222) is N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)C2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is NRWBMARIVNILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5S/c1-3-18(12-4-6-13(19)7-5-12)16(24)22(17(25)20-18)10-15(23)21(2)14-8-9-28(26,27)11-14/h4-7,14H,3,8-11H2,1-2H3,(H,20,25).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 411.46 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 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-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 24979222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).