N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide

C23H32N2O5S — CID 45268787

IUPACN-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide
SMILESCC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)
InChIKeyUMEYNLZNXJZVAP-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.34
Rot. Bonds9

About N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide

N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide (PubChem CID 45268787) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide
PubChem CID45268787
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC NameN-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide
SMILESCC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)
InChIKeyUMEYNLZNXJZVAP-UHFFFAOYSA-N
XLogP4.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide?
The IUPAC name of N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide (CID 45268787) is N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide is CC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide?
The InChIKey is UMEYNLZNXJZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26).
What are the key properties of N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide?
N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide has a molecular weight of 448.59 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[propan-2-yloxy-[4-(4-propan-2-ylphenyl)phenyl]sulfonylamino]butanamide is sourced from PubChem (CID 45268787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).