2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide

C20H21N3O3S — CID 4882613

IUPAC2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
SMILESCSCCC1NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H21N3O3S/c1-27-12-11-17-19(25)23(20(26)22-17)13-18(24)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyGBWPGPPJQVRKKY-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide

2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide (PubChem CID 4882613) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
PubChem CID4882613
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
SMILESCSCCC1NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H21N3O3S/c1-27-12-11-17-19(25)23(20(26)22-17)13-18(24)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyGBWPGPPJQVRKKY-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.97
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-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide (CID 4882613) is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide is CSCCC1NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide?
The InChIKey is GBWPGPPJQVRKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-27-12-11-17-19(25)23(20(26)22-17)13-18(24)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide?
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 4882613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).