2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C19H28N4O4S — CID 98766884

IUPAC2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)C1
InChIInChI=1S/C19H28N4O4S/c1-13(2)10-22-6-7-27-14(11-22)9-20-16(24)12-23-17(25)19(3,21-18(23)26)15-5-4-8-28-15/h4-5,8,13-14H,6-7,9-12H2,1-3H3,(H,20,24)(H,21,26)/t14-,19-/m0/s1
InChIKeyRFJRBUQAMQHIIJ-LIRRHRJNSA-N
MW408.52 g/mol
LogP0.99
Rot. Bonds7

About 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 98766884) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID98766884
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)C1
InChIInChI=1S/C19H28N4O4S/c1-13(2)10-22-6-7-27-14(11-22)9-20-16(24)12-23-17(25)19(3,21-18(23)26)15-5-4-8-28-15/h4-5,8,13-14H,6-7,9-12H2,1-3H3,(H,20,24)(H,21,26)/t14-,19-/m0/s1
InChIKeyRFJRBUQAMQHIIJ-LIRRHRJNSA-N
XLogP0.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55398239
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51923991
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39485748
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 75466609
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55547591
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41249583

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 98766884) is 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)C1.
What is the InChIKey of 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is RFJRBUQAMQHIIJ-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-13(2)10-22-6-7-27-14(11-22)9-20-16(24)12-23-17(25)19(3,21-18(23)26)15-5-4-8-28-15/h4-5,8,13-14H,6-7,9-12H2,1-3H3,(H,20,24)(H,21,26)/t14-,19-/m0/s1.
What are the key properties of 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 98766884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).