N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide

C17H28N2O5S — CID 10667012

IUPACN-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C17H28N2O5S/c1-13(2)9-10-24-15-5-7-16(8-6-15)25(22,23)19(11-14(3)4)12-17(20)18-21/h5-8,13-14,21H,9-12H2,1-4H3,(H,18,20)
InChIKeyGATKQMPWFHNBFF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.26
Rot. Bonds10

About N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide

N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 10667012) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID10667012
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC NameN-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C17H28N2O5S/c1-13(2)9-10-24-15-5-7-16(8-6-15)25(22,23)19(11-14(3)4)12-17(20)18-21/h5-8,13-14,21H,9-12H2,1-4H3,(H,18,20)
InChIKeyGATKQMPWFHNBFF-UHFFFAOYSA-N
XLogP2.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.26
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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Related Compounds

Apratastat
CID 11452716
N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
N-Hydroxy-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
Mmp inhibitor II
CID 4218
(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 5288615
(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
4-((4-((4-Aminobut-2-ynyl)oxy)phenyl)sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 6102708
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide (CID 10667012) is N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide is CC(C)CCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1.
What is the InChIKey of N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is GATKQMPWFHNBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-13(2)9-10-24-15-5-7-16(8-6-15)25(22,23)19(11-14(3)4)12-17(20)18-21/h5-8,13-14,21H,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide?
N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(3-methylbutoxy)phenyl]sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 10667012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).