N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

C17H20N2O2S — CID 43004050

IUPACN'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1C
InChIInChI=1S/C17H20N2O2S/c1-5-14-12(4)9-15(22-14)17(21)19-18-16(20)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeySRGXBDFXUKAXQR-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds3

About N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 43004050) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID43004050
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1C
InChIInChI=1S/C17H20N2O2S/c1-5-14-12(4)9-15(22-14)17(21)19-18-16(20)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeySRGXBDFXUKAXQR-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
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'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7600498
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418338
5-ethyl-N'-(2-hydroxy-4-methoxybenzoyl)-4-methylthiophene-2-carbohydrazide
CID 25432579
N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091418
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
N'-(4-chloro-2-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418431
N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091403
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9157792

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 43004050) is N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1C.
What is the InChIKey of N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is SRGXBDFXUKAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-5-14-12(4)9-15(22-14)17(21)19-18-16(20)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 316.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 43004050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).