2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H16ClN3O3S — CID 5217360

IUPAC2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C17H16ClN3O3S/c1-17(11-4-6-12(18)7-5-11)15(23)21(16(24)20-17)10-14(22)19-9-13-3-2-8-25-13/h2-8H,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyKCQGGFUBBWQJDA-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5217360) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5217360
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C17H16ClN3O3S/c1-17(11-4-6-12(18)7-5-11)15(23)21(16(24)20-17)10-14(22)19-9-13-3-2-8-25-13/h2-8H,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyKCQGGFUBBWQJDA-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.48
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 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 5217360) is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KCQGGFUBBWQJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-17(11-4-6-12(18)7-5-11)15(23)21(16(24)20-17)10-14(22)19-9-13-3-2-8-25-13/h2-8H,9-10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 377.85 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5217360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).