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

C16H26N2O5S — CID 10784639

IUPAC2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C16H26N2O5S/c1-4-5-10-23-14-6-8-15(9-7-14)24(21,22)18(11-13(2)3)12-16(19)17-20/h6-9,13,20H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyAUQHYVHKEDXBCG-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.02
Rot. Bonds10

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

2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 10784639) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID10784639
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
InChIInChI=1S/C16H26N2O5S/c1-4-5-10-23-14-6-8-15(9-7-14)24(21,22)18(11-13(2)3)12-16(19)17-20/h6-9,13,20H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyAUQHYVHKEDXBCG-UHFFFAOYSA-N
XLogP2.02
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.02
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-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (CID 10784639) is 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is CCCCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1.
What is the InChIKey of 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is AUQHYVHKEDXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-4-5-10-23-14-6-8-15(9-7-14)24(21,22)18(11-13(2)3)12-16(19)17-20/h6-9,13,20H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 10784639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).