2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide

C20H24N2O6S — CID 152754593

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
SMILESNC(=O)COc1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C20H24N2O6S/c21-19(23)13-28-17-9-11-18(12-10-17)29(26,27)14-16(20(24)22-25)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,16,25H,4,7-8,13-14H2,(H2,21,23)(H,22,24)
InChIKeyXCDKMSROUVZTFZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.47
Rot. Bonds11

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide

2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide (PubChem CID 152754593) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
PubChem CID152754593
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
SMILESNC(=O)COc1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C20H24N2O6S/c21-19(23)13-28-17-9-11-18(12-10-17)29(26,27)14-16(20(24)22-25)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,16,25H,4,7-8,13-14H2,(H2,21,23)(H,22,24)
InChIKeyXCDKMSROUVZTFZ-UHFFFAOYSA-N
XLogP1.47
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide
CID 54227328
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide
CID 23505538
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
CID 96509361
2-(4-nonylphenoxy)acetamide
CID 54388059
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 12968522
potassium;hydride;2-phenoxyacetamide
CID 175513799
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide (CID 152754593) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide is NC(=O)COc1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
The InChIKey is XCDKMSROUVZTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c21-19(23)13-28-17-9-11-18(12-10-17)29(26,27)14-16(20(24)22-25)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,16,25H,4,7-8,13-14H2,(H2,21,23)(H,22,24).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide has a molecular weight of 420.49 g/mol, XLogP of 1.47, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 152754593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).