N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide

C17H18N2O4S — CID 7536259

IUPACN'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
SMILESCc1cc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)c(C)s1
InChIInChI=1S/C17H18N2O4S/c1-10-9-13(11(2)24-10)15(21)7-8-16(22)18-19-17(23)12-5-3-4-6-14(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyGXQXIMPJGLVMAI-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.49
Rot. Bonds5

About N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide

N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide (PubChem CID 7536259) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
PubChem CID7536259
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
SMILESCc1cc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)c(C)s1
InChIInChI=1S/C17H18N2O4S/c1-10-9-13(11(2)24-10)15(21)7-8-16(22)18-19-17(23)12-5-3-4-6-14(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyGXQXIMPJGLVMAI-UHFFFAOYSA-N
XLogP2.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide (CID 7536259) is N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide is Cc1cc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)c(C)s1.
What is the InChIKey of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
The InChIKey is GXQXIMPJGLVMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-9-13(11(2)24-10)15(21)7-8-16(22)18-19-17(23)12-5-3-4-6-14(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide has a molecular weight of 346.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 7536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).