5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide

C16H18N2O3S2 — CID 4793750

IUPAC5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1C
InChIInChI=1S/C16H18N2O3S2/c1-3-12-10(2)9-14(23-12)16(21)18-17-15(20)7-6-11(19)13-5-4-8-22-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMUBLEGBMXKPVMP-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.10
Rot. Bonds6

About 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide (PubChem CID 4793750) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
PubChem CID4793750
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1C
InChIInChI=1S/C16H18N2O3S2/c1-3-12-10(2)9-14(23-12)16(21)18-17-15(20)7-6-11(19)13-5-4-8-22-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMUBLEGBMXKPVMP-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418418
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide
CID 25468869
5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide
CID 9418515
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 18287127
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
N,N-dimethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 9473120
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide (CID 4793750) is 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide?
The InChIKey is MUBLEGBMXKPVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-3-12-10(2)9-14(23-12)16(21)18-17-15(20)7-6-11(19)13-5-4-8-22-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide has a molecular weight of 350.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4793750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).