2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide

C16H22N2O5S — CID 10132821

IUPAC2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide
SMILESC=C=CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C16H22N2O5S/c1-5-6-11-23-13-7-9-14(10-8-13)24(21,22)18(4)15(12(2)3)16(19)17-20/h6-10,12,15,20H,1,11H2,2-4H3,(H,17,19)
InChIKeyYUELYEUMPBPPER-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.56
Rot. Bonds8

About 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide

2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 10132821) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide
PubChem CID10132821
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide
SMILESC=C=CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C16H22N2O5S/c1-5-6-11-23-13-7-9-14(10-8-13)24(21,22)18(4)15(12(2)3)16(19)17-20/h6-10,12,15,20H,1,11H2,2-4H3,(H,17,19)
InChIKeyYUELYEUMPBPPER-UHFFFAOYSA-N
XLogP1.56
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.56
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-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide (CID 10132821) is 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide is C=C=CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)C)cc1.
What is the InChIKey of 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is YUELYEUMPBPPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-5-6-11-23-13-7-9-14(10-8-13)24(21,22)18(4)15(12(2)3)16(19)17-20/h6-10,12,15,20H,1,11H2,2-4H3,(H,17,19).
What are the key properties of 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide?
2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 354.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 10132821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).