3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide

C16H20N2O2S — CID 63640538

IUPAC3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCCC(C)c1ccccc1OCc1ccsc1C(=O)NN
InChIInChI=1S/C16H20N2O2S/c1-3-11(2)13-6-4-5-7-14(13)20-10-12-8-9-21-15(12)16(19)18-17/h4-9,11H,3,10,17H2,1-2H3,(H,18,19)
InChIKeySSRSLBAWUFVLFN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.44
Rot. Bonds6

About 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide

3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63640538) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63640538
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCCC(C)c1ccccc1OCc1ccsc1C(=O)NN
InChIInChI=1S/C16H20N2O2S/c1-3-11(2)13-6-4-5-7-14(13)20-10-12-8-9-21-15(12)16(19)18-17/h4-9,11H,3,10,17H2,1-2H3,(H,18,19)
InChIKeySSRSLBAWUFVLFN-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
[2-[(2-butan-2-ylphenoxy)methyl]phenyl] 2-(methoxyamino)prop-2-enoate
CID 56986632
3-[(2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640012
3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63641055
3-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640372
3-(2-ethylhexoxymethyl)thiophene-2-carbohydrazide
CID 63639180
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 2895068
1-[5-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 1335272
2-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43080642
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
3-[(2-butan-2-ylphenoxy)methyl]-4-chloroaniline
CID 43350156

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide (CID 63640538) is 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide is CCC(C)c1ccccc1OCc1ccsc1C(=O)NN.
What is the InChIKey of 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is SSRSLBAWUFVLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-11(2)13-6-4-5-7-14(13)20-10-12-8-9-21-15(12)16(19)18-17/h4-9,11H,3,10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 304.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).