3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide

C17H17N3O3S — CID 68593242

IUPAC3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)CC(c1cccs1)N1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17N3O3S/c18-15(21)9-13(14-7-4-8-24-14)19-11-16(22)20(17(19)23)10-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H2,18,21)
InChIKeyLSPZEHJWNUMONQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.13
Rot. Bonds6

About 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide

3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide (PubChem CID 68593242) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide
PubChem CID68593242
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)CC(c1cccs1)N1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17N3O3S/c18-15(21)9-13(14-7-4-8-24-14)19-11-16(22)20(17(19)23)10-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H2,18,21)
InChIKeyLSPZEHJWNUMONQ-UHFFFAOYSA-N
XLogP2.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Proline scaffold, 28
CID 42618125
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4826065
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
Proline scaffold, 32
CID 42618129
Thiantoin
CID 31325
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
3-[(4-Methylsulfanylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622723
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
N-Cyclopentyl-2-[phenethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202479
2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-N-cyclopentyl-2-thiophen-3-yl-acetamide
CID 3202484

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide (CID 68593242) is 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide is NC(=O)CC(c1cccs1)N1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is LSPZEHJWNUMONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-15(21)9-13(14-7-4-8-24-14)19-11-16(22)20(17(19)23)10-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H2,18,21).
What are the key properties of 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide?
3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 343.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 68593242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).