2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C19H26N4O6S — CID 2079208

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C19H26N4O6S/c1-3-19(4-2)17(25)23(18(26)21-19)13-16(24)20-14-5-7-15(8-6-14)30(27,28)22-9-11-29-12-10-22/h5-8H,3-4,9-13H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyYXMQVBODKFBXOX-UHFFFAOYSA-N
MW438.51 g/mol
LogP0.76
Rot. Bonds7

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 2079208) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID2079208
Molecular FormulaC19H26N4O6S
Molecular Weight438.51 g/mol
Exact Mass438.16
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C19H26N4O6S/c1-3-19(4-2)17(25)23(18(26)21-19)13-16(24)20-14-5-7-15(8-6-14)30(27,28)22-9-11-29-12-10-22/h5-8H,3-4,9-13H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyYXMQVBODKFBXOX-UHFFFAOYSA-N
XLogP0.76
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 2079208) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is YXMQVBODKFBXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-3-19(4-2)17(25)23(18(26)21-19)13-16(24)20-14-5-7-15(8-6-14)30(27,28)22-9-11-29-12-10-22/h5-8H,3-4,9-13H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 438.51 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2079208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).