N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide

C23H28N4O7S — CID 18753647

IUPACN-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1C(=O)N(CCC(C(=O)NO)N(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1(C)C
InChIInChI=1S/C23H28N4O7S/c1-23(2)21(29)27(22(30)25(23)3)15-14-19(20(28)24-31)26(4)35(32,33)18-12-10-17(11-13-18)34-16-8-6-5-7-9-16/h5-13,19,31H,14-15H2,1-4H3,(H,24,28)
InChIKeyJUXRHMGQOLCABL-UHFFFAOYSA-N
MW504.57 g/mol
LogP2.04
Rot. Bonds9

About N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 18753647) has the molecular formula C23H28N4O7S and a molecular weight of 504.57 g/mol. Its IUPAC name is N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID18753647
Molecular FormulaC23H28N4O7S
Molecular Weight504.57 g/mol
Exact Mass504.17
IUPAC NameN-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1C(=O)N(CCC(C(=O)NO)N(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1(C)C
InChIInChI=1S/C23H28N4O7S/c1-23(2)21(29)27(22(30)25(23)3)15-14-19(20(28)24-31)26(4)35(32,33)18-12-10-17(11-13-18)34-16-8-6-5-7-9-16/h5-13,19,31H,14-15H2,1-4H3,(H,24,28)
InChIKeyJUXRHMGQOLCABL-UHFFFAOYSA-N
XLogP2.04
TPSA136.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 18753647) is N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1C(=O)N(CCC(C(=O)NO)N(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1(C)C.
What is the InChIKey of N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is JUXRHMGQOLCABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O7S/c1-23(2)21(29)27(22(30)25(23)3)15-14-19(20(28)24-31)26(4)35(32,33)18-12-10-17(11-13-18)34-16-8-6-5-7-9-16/h5-13,19,31H,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 504.57 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 18753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).