2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

C19H28N4O5S — CID 55589191

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)C1=O
InChIInChI=1S/C19H28N4O5S/c1-5-19(6-2)17(25)23(18(26)22-19)12-16(24)20-9-10-21-29(27,28)15-11-13(3)7-8-14(15)4/h7-8,11,21H,5-6,9-10,12H2,1-4H3,(H,20,24)(H,22,26)
InChIKeyXPSDXOGUYFYHCX-UHFFFAOYSA-N
MW424.52 g/mol
LogP0.81
Rot. Bonds9

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 55589191) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID55589191
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)C1=O
InChIInChI=1S/C19H28N4O5S/c1-5-19(6-2)17(25)23(18(26)22-19)12-16(24)20-9-10-21-29(27,28)15-11-13(3)7-8-14(15)4/h7-8,11,21H,5-6,9-10,12H2,1-4H3,(H,20,24)(H,22,26)
InChIKeyXPSDXOGUYFYHCX-UHFFFAOYSA-N
XLogP0.81
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119384721
N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119408013
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119549201
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2338322
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 46592950
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 55589191) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is CCC1(CC)NC(=O)N(CC(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is XPSDXOGUYFYHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-5-19(6-2)17(25)23(18(26)22-19)12-16(24)20-9-10-21-29(27,28)15-11-13(3)7-8-14(15)4/h7-8,11,21H,5-6,9-10,12H2,1-4H3,(H,20,24)(H,22,26).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 0.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 55589191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).