N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide

C15H16N2O3S — CID 9318540

IUPACN'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-10-5-6-12(20-2)11(8-10)9-14(18)16-17-15(19)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUXRDRZAWUGJSNG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.07
Rot. Bonds4

About N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 9318540) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID9318540
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-10-5-6-12(20-2)11(8-10)9-14(18)16-17-15(19)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUXRDRZAWUGJSNG-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 18287127
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
(2-methoxy-5-methylphenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7644966
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
CID 9114378
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 31718704
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide (CID 9318540) is N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide is COc1ccc(C)cc1CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is UXRDRZAWUGJSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-5-6-12(20-2)11(8-10)9-14(18)16-17-15(19)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 304.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9318540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).