N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide

C15H19N3O3S — CID 51288712

IUPACN-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC(C)(c2cccs2)C1=O)C1CC1
InChIInChI=1S/C15H19N3O3S/c1-9(10-5-6-10)16-12(19)8-18-13(20)15(2,17-14(18)21)11-4-3-7-22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyWQHGXMYJNLECHZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.43
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide

N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide (PubChem CID 51288712) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
PubChem CID51288712
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC(C)(c2cccs2)C1=O)C1CC1
InChIInChI=1S/C15H19N3O3S/c1-9(10-5-6-10)16-12(19)8-18-13(20)15(2,17-14(18)21)11-4-3-7-22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyWQHGXMYJNLECHZ-UHFFFAOYSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.43
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

N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-(2,6-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94139870
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625386
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55481097
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 55442296
N-[(1R)-1-cyclopropylethyl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571449
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
N-(3-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288507
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
N-[(3-chlorophenyl)methyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288559

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide (CID 51288712) is N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide is CC(NC(=O)CN1C(=O)NC(C)(c2cccs2)C1=O)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is WQHGXMYJNLECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9(10-5-6-10)16-12(19)8-18-13(20)15(2,17-14(18)21)11-4-3-7-22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51288712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).