7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide

C17H26N2O6S — CID 175559883

IUPAC7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide
SMILESCOc1ccc(CC2ON(CCCCCCC(=O)NO)OS2)c(OC)c1
InChIInChI=1S/C17H26N2O6S/c1-22-14-9-8-13(15(12-14)23-2)11-17-24-19(25-26-17)10-6-4-3-5-7-16(20)18-21/h8-9,12,17,21H,3-7,10-11H2,1-2H3,(H,18,20)
InChIKeyVTPPLBQGNRBTIE-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.86
Rot. Bonds11

About 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide

7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide (PubChem CID 175559883) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide
PubChem CID175559883
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide
SMILESCOc1ccc(CC2ON(CCCCCCC(=O)NO)OS2)c(OC)c1
InChIInChI=1S/C17H26N2O6S/c1-22-14-9-8-13(15(12-14)23-2)11-17-24-19(25-26-17)10-6-4-3-5-7-16(20)18-21/h8-9,12,17,21H,3-7,10-11H2,1-2H3,(H,18,20)
InChIKeyVTPPLBQGNRBTIE-UHFFFAOYSA-N
XLogP2.86
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
CID 91005120
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
7-bromo-N-[(2,4-dimethoxyphenyl)methyl]-N-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87531492
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide (CID 175559883) is 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide is COc1ccc(CC2ON(CCCCCCC(=O)NO)OS2)c(OC)c1.
What is the InChIKey of 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide?
The InChIKey is VTPPLBQGNRBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-22-14-9-8-13(15(12-14)23-2)11-17-24-19(25-26-17)10-6-4-3-5-7-16(20)18-21/h8-9,12,17,21H,3-7,10-11H2,1-2H3,(H,18,20).
What are the key properties of 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide?
7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide has a molecular weight of 386.47 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 175559883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).