2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

C14H23N3O4S — CID 10640100

IUPAC2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O4S/c1-11(2)9-17(10-14(18)15-19)22(20,21)13-7-5-12(6-8-13)16(3)4/h5-8,11,19H,9-10H2,1-4H3,(H,15,18)
InChIKeyPKVXVECJINENFT-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.90
Rot. Bonds7

About 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 10640100) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID10640100
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O4S/c1-11(2)9-17(10-14(18)15-19)22(20,21)13-7-5-12(6-8-13)16(3)4/h5-8,11,19H,9-10H2,1-4H3,(H,15,18)
InChIKeyPKVXVECJINENFT-UHFFFAOYSA-N
XLogP0.90
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (CID 10640100) is 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is PKVXVECJINENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-11(2)9-17(10-14(18)15-19)22(20,21)13-7-5-12(6-8-13)16(3)4/h5-8,11,19H,9-10H2,1-4H3,(H,15,18).
What are the key properties of 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 329.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 10640100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).