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

C17H20N2O2S — CID 7600498

IUPACN'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)sc1C
InChIInChI=1S/C17H20N2O2S/c1-5-13-9-15(22-12(13)4)17(21)19-18-16(20)14-7-6-10(2)8-11(14)3/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVMZNRCLFSPCCGJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds3

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

N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide (PubChem CID 7600498) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
PubChem CID7600498
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)sc1C
InChIInChI=1S/C17H20N2O2S/c1-5-13-9-15(22-12(13)4)17(21)19-18-16(20)14-7-6-10(2)8-11(14)3/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVMZNRCLFSPCCGJ-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)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892
N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465
4-ethyl-5-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 35023006
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N'-(4-ethyl-5-methylthiophene-2-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 17479567
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26854197

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide (CID 7600498) is N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)sc1C.
What is the InChIKey of N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is VMZNRCLFSPCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-5-13-9-15(22-12(13)4)17(21)19-18-16(20)14-7-6-10(2)8-11(14)3/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide?
N'-(2,4-dimethylbenzoyl)-4-ethyl-5-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)-4-ethyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 7600498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).