5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide

C16H18N2O4S2 — CID 9418358

IUPAC5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C16H18N2O4S2/c1-4-13-10(2)9-14(23-13)16(20)18-17-15(19)11-5-7-12(8-6-11)24(3,21)22/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyZPGKJQSXBYABHB-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.10
Rot. Bonds4

About 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 9418358) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
PubChem CID9418358
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C16H18N2O4S2/c1-4-13-10(2)9-14(23-13)16(20)18-17-15(19)11-5-7-12(8-6-11)24(3,21)22/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyZPGKJQSXBYABHB-UHFFFAOYSA-N
XLogP2.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.10
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

5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9157935
N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide
CID 24642957
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9418410
2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 47723403
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24515135
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418354

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide (CID 9418358) is 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is ZPGKJQSXBYABHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-4-13-10(2)9-14(23-13)16(20)18-17-15(19)11-5-7-12(8-6-11)24(3,21)22/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 366.46 g/mol, XLogP of 2.10, 4 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-methylsulfonylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9418358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).