[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C20H28N4O7S — CID 24978693

IUPAC[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C20H28N4O7S/c1-6-23(7-2)32(29,30)14-9-8-13(3)15(10-14)21-16(25)12-31-17(26)11-24-18(27)20(4,5)22-19(24)28/h8-10H,6-7,11-12H2,1-5H3,(H,21,25)(H,22,28)
InChIKeyWDPZCVXWSUHGAP-UHFFFAOYSA-N
MW468.53 g/mol
LogP0.84
Rot. Bonds9

About [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 24978693) has the molecular formula C20H28N4O7S and a molecular weight of 468.53 g/mol. Its IUPAC name is [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID24978693
Molecular FormulaC20H28N4O7S
Molecular Weight468.53 g/mol
Exact Mass468.17
IUPAC Name[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C20H28N4O7S/c1-6-23(7-2)32(29,30)14-9-8-13(3)15(10-14)21-16(25)12-31-17(26)11-24-18(27)20(4,5)22-19(24)28/h8-10H,6-7,11-12H2,1-5H3,(H,21,25)(H,22,28)
InChIKeyWDPZCVXWSUHGAP-UHFFFAOYSA-N
XLogP0.84
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 24978693) is [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is WDPZCVXWSUHGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O7S/c1-6-23(7-2)32(29,30)14-9-8-13(3)15(10-14)21-16(25)12-31-17(26)11-24-18(27)20(4,5)22-19(24)28/h8-10H,6-7,11-12H2,1-5H3,(H,21,25)(H,22,28).
What are the key properties of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 468.53 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 24978693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).