N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide

C20H23N3O7S — CID 10551483

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C20H23N3O7S/c1-29-15-7-9-17(10-8-15)31(27,28)23-12-11-22(13-18(23)20(25)21-26)19(24)14-30-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3,(H,21,25)
InChIKeyQKXUIPRJJWLPIY-UHFFFAOYSA-N
MW449.49 g/mol
LogP0.48
Rot. Bonds7

About N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide (PubChem CID 10551483) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide
PubChem CID10551483
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C20H23N3O7S/c1-29-15-7-9-17(10-8-15)31(27,28)23-12-11-22(13-18(23)20(25)21-26)19(24)14-30-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3,(H,21,25)
InChIKeyQKXUIPRJJWLPIY-UHFFFAOYSA-N
XLogP0.48
TPSA125.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide (CID 10551483) is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide?
The InChIKey is QKXUIPRJJWLPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-29-15-7-9-17(10-8-15)31(27,28)23-12-11-22(13-18(23)20(25)21-26)19(24)14-30-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3,(H,21,25).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenoxyacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 10551483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).