5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide

C15H16N2O3S — CID 115496156

IUPAC5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
SMILESCC(=O)Cc1ccc(OCc2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-10(18)8-11-2-4-12(5-3-11)20-9-13-6-7-14(21-13)15(19)17-16/h2-7H,8-9,16H2,1H3,(H,17,19)
InChIKeyFLHDRKVEWPOCBV-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.06
Rot. Bonds6

About 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide

5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide (PubChem CID 115496156) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
PubChem CID115496156
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
SMILESCC(=O)Cc1ccc(OCc2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-10(18)8-11-2-4-12(5-3-11)20-9-13-6-7-14(21-13)15(19)17-16/h2-7H,8-9,16H2,1H3,(H,17,19)
InChIKeyFLHDRKVEWPOCBV-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576610
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
4-[[4-(2-hydroxyethyl)phenoxy]methyl]-5-methylthiophene-2-carbohydrazide
CID 107710081
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620512
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide (CID 115496156) is 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide is CC(=O)Cc1ccc(OCc2ccc(C(=O)NN)s2)cc1.
What is the InChIKey of 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide?
The InChIKey is FLHDRKVEWPOCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(18)8-11-2-4-12(5-3-11)20-9-13-6-7-14(21-13)15(19)17-16/h2-7H,8-9,16H2,1H3,(H,17,19).
What are the key properties of 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide?
5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide has a molecular weight of 304.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 115496156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).