N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

C19H27N3O4S — CID 8522418

IUPACN-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCCC1(CC)NC(=O)N(CC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)C1=O
InChIInChI=1S/C19H27N3O4S/c1-6-19(7-2)16(25)22(17(26)21-19)11-13(23)14-9-8-12(27-14)10-20-15(24)18(3,4)5/h8-9H,6-7,10-11H2,1-5H3,(H,20,24)(H,21,26)
InChIKeyUHHAIECWMBHXHS-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.70
Rot. Bonds7

About N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 8522418) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID8522418
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCCC1(CC)NC(=O)N(CC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)C1=O
InChIInChI=1S/C19H27N3O4S/c1-6-19(7-2)16(25)22(17(26)21-19)11-13(23)14-9-8-12(27-14)10-20-15(24)18(3,4)5/h8-9H,6-7,10-11H2,1-5H3,(H,20,24)(H,21,26)
InChIKeyUHHAIECWMBHXHS-UHFFFAOYSA-N
XLogP2.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (CID 8522418) is N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is CCC1(CC)NC(=O)N(CC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)C1=O.
What is the InChIKey of N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is UHHAIECWMBHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-6-19(7-2)16(25)22(17(26)21-19)11-13(23)14-9-8-12(27-14)10-20-15(24)18(3,4)5/h8-9H,6-7,10-11H2,1-5H3,(H,20,24)(H,21,26).
What are the key properties of N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 8522418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).