N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide

C17H16N4O3S — CID 135357464

IUPACN-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide
SMILESCOc1cccc(-c2nnc(Sc3ccc(C(=O)NO)cc3)n2C)c1
InChIInChI=1S/C17H16N4O3S/c1-21-15(12-4-3-5-13(10-12)24-2)18-19-17(21)25-14-8-6-11(7-9-14)16(22)20-23/h3-10,23H,1-2H3,(H,20,22)
InChIKeyIYORVNDUXHAOJX-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.76
Rot. Bonds5

About N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide

N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide (PubChem CID 135357464) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide
PubChem CID135357464
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide
SMILESCOc1cccc(-c2nnc(Sc3ccc(C(=O)NO)cc3)n2C)c1
InChIInChI=1S/C17H16N4O3S/c1-21-15(12-4-3-5-13(10-12)24-2)18-19-17(21)25-14-8-6-11(7-9-14)16(22)20-23/h3-10,23H,1-2H3,(H,20,22)
InChIKeyIYORVNDUXHAOJX-UHFFFAOYSA-N
XLogP2.76
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

4-[[5-[3-(diethylsulfamoyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide
CID 135358053
1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one
CID 17423623
N-(4-bromophenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17301677
N-(3-acetylphenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500681
N-(2,6-diethylphenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19730543
N-(2,4-dimethoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500679
N-(4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500680
N-(2,3-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500672
2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18079390
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7339458
1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091670
methyl 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6467002

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide?
The IUPAC name of N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide (CID 135357464) is N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide is COc1cccc(-c2nnc(Sc3ccc(C(=O)NO)cc3)n2C)c1.
What is the InChIKey of N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide?
The InChIKey is IYORVNDUXHAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21-15(12-4-3-5-13(10-12)24-2)18-19-17(21)25-14-8-6-11(7-9-14)16(22)20-23/h3-10,23H,1-2H3,(H,20,22).
What are the key properties of N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide?
N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]benzamide is sourced from PubChem (CID 135357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).