2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide

C24H26N2O7S2 — CID 10311540

IUPAC2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide
SMILESCC(C)(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H26N2O7S2/c1-24(2,23(27)25-28)26(17-18-7-5-4-6-8-18)35(31,32)22-15-11-20(12-16-22)33-19-9-13-21(14-10-19)34(3,29)30/h4-16,28H,17H2,1-3H3,(H,25,27)
InChIKeyCSRDJKACIAQCPM-UHFFFAOYSA-N
MW518.61 g/mol
LogP3.36
Rot. Bonds9

About 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide

2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide (PubChem CID 10311540) has the molecular formula C24H26N2O7S2 and a molecular weight of 518.61 g/mol. Its IUPAC name is 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide
PubChem CID10311540
Molecular FormulaC24H26N2O7S2
Molecular Weight518.61 g/mol
Exact Mass518.12
IUPAC Name2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide
SMILESCC(C)(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H26N2O7S2/c1-24(2,23(27)25-28)26(17-18-7-5-4-6-8-18)35(31,32)22-15-11-20(12-16-22)33-19-9-13-21(14-10-19)34(3,29)30/h4-16,28H,17H2,1-3H3,(H,25,27)
InChIKeyCSRDJKACIAQCPM-UHFFFAOYSA-N
XLogP3.36
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 53.36
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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Related Compounds

4-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
CID 10289745
N-benzyl-4-ethoxy-N-(2-methyl-1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711678
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
CID 153290833
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide (CID 10311540) is 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide is CC(C)(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide?
The InChIKey is CSRDJKACIAQCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S2/c1-24(2,23(27)25-28)26(17-18-7-5-4-6-8-18)35(31,32)22-15-11-20(12-16-22)33-19-9-13-21(14-10-19)34(3,29)30/h4-16,28H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide?
2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide has a molecular weight of 518.61 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10311540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).