N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C10H10ClN3O3S — CID 29220105

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3O3S/c11-7-2-1-6(18-7)3-12-8(15)5-14-9(16)4-13-10(14)17/h1-2H,3-5H2,(H,12,15)(H,13,17)
InChIKeyLTPZTENDSYYOEW-UHFFFAOYSA-N
MW287.73 g/mol
LogP0.57
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 29220105) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID29220105
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3O3S/c11-7-2-1-6(18-7)3-12-8(15)5-14-9(16)4-13-10(14)17/h1-2H,3-5H2,(H,12,15)(H,13,17)
InChIKeyLTPZTENDSYYOEW-UHFFFAOYSA-N
XLogP0.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 29220105) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)CNC1=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is LTPZTENDSYYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c11-7-2-1-6(18-7)3-12-8(15)5-14-9(16)4-13-10(14)17/h1-2H,3-5H2,(H,12,15)(H,13,17).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 287.73 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 29220105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).