N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide

C20H19N3O6S — CID 55373341

IUPACN-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)s1
InChIInChI=1S/C20H19N3O6S/c1-11(24)21-8-13-4-6-17(30-13)14(25)9-23-18(26)20(2,22-19(23)27)12-3-5-15-16(7-12)29-10-28-15/h3-7H,8-10H2,1-2H3,(H,21,24)(H,22,27)
InChIKeyDMECVJGYSDLXEO-UHFFFAOYSA-N
MW429.45 g/mol
LogP1.76
Rot. Bonds6

About N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55373341) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID55373341
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC NameN-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)s1
InChIInChI=1S/C20H19N3O6S/c1-11(24)21-8-13-4-6-17(30-13)14(25)9-23-18(26)20(2,22-19(23)27)12-3-5-15-16(7-12)29-10-28-15/h3-7H,8-10H2,1-2H3,(H,21,24)(H,22,27)
InChIKeyDMECVJGYSDLXEO-UHFFFAOYSA-N
XLogP1.76
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359170
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41058914
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7692011
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359236
N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
CID 8521713
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7691904
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 7359216
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide (CID 55373341) is N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)s1.
What is the InChIKey of N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is DMECVJGYSDLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-11(24)21-8-13-4-6-17(30-13)14(25)9-23-18(26)20(2,22-19(23)27)12-3-5-15-16(7-12)29-10-28-15/h3-7H,8-10H2,1-2H3,(H,21,24)(H,22,27).
What are the key properties of N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 429.45 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55373341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).