N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide

C19H20N4O4S — CID 71900241

IUPACN-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
SMILESCC1(c2cccs2)NC(=O)N(CCC(=O)NC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C19H20N4O4S/c1-19(14-8-5-11-28-14)16(25)23(18(27)22-19)10-9-15(24)21-17(26)20-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,22,27)(H2,20,21,24,26)
InChIKeyLPYCJUNWHOFVSK-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.93
Rot. Bonds6

About N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide

N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide (PubChem CID 71900241) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
PubChem CID71900241
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
SMILESCC1(c2cccs2)NC(=O)N(CCC(=O)NC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C19H20N4O4S/c1-19(14-8-5-11-28-14)16(25)23(18(27)22-19)10-9-15(24)21-17(26)20-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,22,27)(H2,20,21,24,26)
InChIKeyLPYCJUNWHOFVSK-UHFFFAOYSA-N
XLogP1.93
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzylcarbamoyl)-3-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 24592825
N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55484732
N-[(3-chlorophenyl)methyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288559
N-(2-benzylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 55480274
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
CID 55484731
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 18134850

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide (CID 71900241) is N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide is CC1(c2cccs2)NC(=O)N(CCC(=O)NC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide?
The InChIKey is LPYCJUNWHOFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-19(14-8-5-11-28-14)16(25)23(18(27)22-19)10-9-15(24)21-17(26)20-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H,22,27)(H2,20,21,24,26).
What are the key properties of N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide?
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide has a molecular weight of 400.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide is sourced from PubChem (CID 71900241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).