2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide

C17H21N2O6PS — CID 20683037

IUPAC2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCP(C)(=O)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N2O6PS/c1-26(2,22)13-19(12-17(20)18-21)27(23,24)16-10-8-15(9-11-16)25-14-6-4-3-5-7-14/h3-11,21H,12-13H2,1-2H3,(H,18,20)
InChIKeyPKGPLYRPVNAMOR-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.56
Rot. Bonds8

About 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide

2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 20683037) has the molecular formula C17H21N2O6PS and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID20683037
Molecular FormulaC17H21N2O6PS
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC Name2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCP(C)(=O)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N2O6PS/c1-26(2,22)13-19(12-17(20)18-21)27(23,24)16-10-8-15(9-11-16)25-14-6-4-3-5-7-14/h3-11,21H,12-13H2,1-2H3,(H,18,20)
InChIKeyPKGPLYRPVNAMOR-UHFFFAOYSA-N
XLogP2.56
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
2-(((4-(4-Fluorophenoxy)phenyl)sulfonyl)amino)-N-hydrox y-2-methylpropanamide
CID 9907286
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfonamido]butanamide
CID 6539670
N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 46829322
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide
CID 10445302
2-{[4-(cyclohexylmethoxy)benzene](2-methylpropyl)sulfonamido}-N-hydroxyacetamide
CID 10524926
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
2-[(2,2,2-Trifluoroethyl)[(4-methoxyphenyl)sulfonyl]amino]acetohydroximic acid
CID 10593373
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178
N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide
CID 10667012

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 20683037) is 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide is CP(C)(=O)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is PKGPLYRPVNAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2O6PS/c1-26(2,22)13-19(12-17(20)18-21)27(23,24)16-10-8-15(9-11-16)25-14-6-4-3-5-7-14/h3-11,21H,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 412.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 20683037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).