N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide

C17H18N2O4S — CID 18287127

IUPACN'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H18N2O4S/c1-11-5-7-14(23-2)12(10-11)13(20)6-8-16(21)18-19-17(22)15-4-3-9-24-15/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZXPFIAGLKOASBT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.49
Rot. Bonds6

About N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide

N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide (PubChem CID 18287127) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
PubChem CID18287127
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H18N2O4S/c1-11-5-7-14(23-2)12(10-11)13(20)6-8-16(21)18-19-17(22)15-4-3-9-24-15/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZXPFIAGLKOASBT-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 18106344
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
CID 9114378
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide (CID 18287127) is N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide is COc1ccc(C)cc1C(=O)CCC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide?
The InChIKey is ZXPFIAGLKOASBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-5-7-14(23-2)12(10-11)13(20)6-8-16(21)18-19-17(22)15-4-3-9-24-15/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide?
N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide has a molecular weight of 346.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 18287127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).