2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide

C16H20N2O5S — CID 142029496

IUPAC2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide
SMILESC=C/C=C(\C=C)Oc1ccc(S(=O)(=O)CC(C)(N)C(=O)NO)cc1
InChIInChI=1S/C16H20N2O5S/c1-4-6-12(5-2)23-13-7-9-14(10-8-13)24(21,22)11-16(3,17)15(19)18-20/h4-10,20H,1-2,11,17H2,3H3,(H,18,19)/b12-6+
InChIKeyMXAFCNGJTLGTSM-WUXMJOGZSA-N
MW352.41 g/mol
LogP1.32
Rot. Bonds8

About 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide

2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide (PubChem CID 142029496) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide
PubChem CID142029496
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide
SMILESC=C/C=C(\C=C)Oc1ccc(S(=O)(=O)CC(C)(N)C(=O)NO)cc1
InChIInChI=1S/C16H20N2O5S/c1-4-6-12(5-2)23-13-7-9-14(10-8-13)24(21,22)11-16(3,17)15(19)18-20/h4-10,20H,1-2,11,17H2,3H3,(H,18,19)/b12-6+
InChIKeyMXAFCNGJTLGTSM-WUXMJOGZSA-N
XLogP1.32
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide?
The IUPAC name of 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide (CID 142029496) is 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide is C=C/C=C(\C=C)Oc1ccc(S(=O)(=O)CC(C)(N)C(=O)NO)cc1.
What is the InChIKey of 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide?
The InChIKey is MXAFCNGJTLGTSM-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-4-6-12(5-2)23-13-7-9-14(10-8-13)24(21,22)11-16(3,17)15(19)18-20/h4-10,20H,1-2,11,17H2,3H3,(H,18,19)/b12-6+.
What are the key properties of 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide?
2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide has a molecular weight of 352.41 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 142029496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).