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

C18H30N2O5S — CID 10738924

IUPAC2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCCCCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C18H30N2O5S/c1-4-5-6-7-12-25-16-8-10-17(11-9-16)26(23,24)20(13-15(2)3)14-18(21)19-22/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,19,21)
InChIKeyMEGRMEXCUOBMOZ-UHFFFAOYSA-N
MW386.51 g/mol
LogP2.80
Rot. Bonds12

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

2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 10738924) has the molecular formula C18H30N2O5S and a molecular weight of 386.51 g/mol. Its IUPAC name is 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID10738924
Molecular FormulaC18H30N2O5S
Molecular Weight386.51 g/mol
Exact Mass386.19
IUPAC Name2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCCCCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C18H30N2O5S/c1-4-5-6-7-12-25-16-8-10-17(11-9-16)26(23,24)20(13-15(2)3)14-18(21)19-22/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,19,21)
InChIKeyMEGRMEXCUOBMOZ-UHFFFAOYSA-N
XLogP2.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (CID 10738924) is 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is CCCCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1.
What is the InChIKey of 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is MEGRMEXCUOBMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S/c1-4-5-6-7-12-25-16-8-10-17(11-9-16)26(23,24)20(13-15(2)3)14-18(21)19-22/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 386.51 g/mol, XLogP of 2.80, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hexoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 10738924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).