N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide

C17H20N2O2S — CID 23200654

IUPACN-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NN(C(=O)c2cccs2)C(C)(C)C)cc1
InChIInChI=1S/C17H20N2O2S/c1-12-7-9-13(10-8-12)15(20)18-19(17(2,3)4)16(21)14-6-5-11-22-14/h5-11H,1-4H3,(H,18,20)
InChIKeyVQGIFFIFTMUTEY-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.64
Rot. Bonds2

About N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide

N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 23200654) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
PubChem CID23200654
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NN(C(=O)c2cccs2)C(C)(C)C)cc1
InChIInChI=1S/C17H20N2O2S/c1-12-7-9-13(10-8-12)15(20)18-19(17(2,3)4)16(21)14-6-5-11-22-14/h5-11H,1-4H3,(H,18,20)
InChIKeyVQGIFFIFTMUTEY-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
CID 57002219
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
CID 23164438
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
3-bromo-N-tert-butyl-N'-(3-methylbenzoyl)thiophene-2-carbohydrazide
CID 67899302
1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea
CID 22299475
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl] acetate
CID 19367923
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
N',4-ditert-butyl-N'-(4-fluorobenzoyl)benzohydrazide;trihydrochloride
CID 70295703

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide (CID 23200654) is N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide is Cc1ccc(C(=O)NN(C(=O)c2cccs2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is VQGIFFIFTMUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-7-9-13(10-8-12)15(20)18-19(17(2,3)4)16(21)14-6-5-11-22-14/h5-11H,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 316.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 23200654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).