2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C18H24N4O5S — CID 3396182

IUPAC2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C18H24N4O5S/c1-13-6-7-14(28(26,27)21-8-4-3-5-9-21)10-15(13)19-16(23)11-22-17(24)12-20(2)18(22)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,19,23)
InChIKeySJMOFJCSARDYDW-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.00
Rot. Bonds5

About 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3396182) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3396182
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C18H24N4O5S/c1-13-6-7-14(28(26,27)21-8-4-3-5-9-21)10-15(13)19-16(23)11-22-17(24)12-20(2)18(22)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,19,23)
InChIKeySJMOFJCSARDYDW-UHFFFAOYSA-N
XLogP1.00
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 3396182) is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SJMOFJCSARDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-13-6-7-14(28(26,27)21-8-4-3-5-9-21)10-15(13)19-16(23)11-22-17(24)12-20(2)18(22)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3396182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).