2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

C16H26N2O6S — CID 22907178

IUPAC2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCCOC(C)Oc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C16H26N2O6S/c1-5-23-13(4)24-14-6-8-15(9-7-14)25(21,22)18(10-12(2)3)11-16(19)17-20/h6-9,12-13,20H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyMOTVBLBQZAMKJC-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.60
Rot. Bonds10

About 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 22907178) has the molecular formula C16H26N2O6S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID22907178
Molecular FormulaC16H26N2O6S
Molecular Weight374.46 g/mol
Exact Mass374.15
IUPAC Name2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCCOC(C)Oc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C16H26N2O6S/c1-5-23-13(4)24-14-6-8-15(9-7-14)25(21,22)18(10-12(2)3)11-16(19)17-20/h6-9,12-13,20H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyMOTVBLBQZAMKJC-UHFFFAOYSA-N
XLogP1.60
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 22907211
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-pentan-2-ylamino]acetamide
CID 4224
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4625146
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
CID 17311755
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
4-fluorobenzenesulfonate;tris[4-(1-ethoxyethoxy)phenyl]sulfanium
CID 18945711

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (CID 22907178) is 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is CCOC(C)Oc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1.
What is the InChIKey of 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is MOTVBLBQZAMKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6S/c1-5-23-13(4)24-14-6-8-15(9-7-14)25(21,22)18(10-12(2)3)11-16(19)17-20/h6-9,12-13,20H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 374.46 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-ethoxyethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 22907178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).