5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide

C14H20N4O3S2 — CID 8823512

IUPAC5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C14H20N4O3S2/c1-6-11-8(2)7-12(22-11)14(19)15-17-23(20,21)13-9(3)16-18(5)10(13)4/h7,17H,6H2,1-5H3,(H,15,19)
InChIKeyDBENAESCNUJWTC-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.59
Rot. Bonds5

About 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide (PubChem CID 8823512) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide
PubChem CID8823512
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C14H20N4O3S2/c1-6-11-8(2)7-12(22-11)14(19)15-17-23(20,21)13-9(3)16-18(5)10(13)4/h7,17H,6H2,1-5H3,(H,15,19)
InChIKeyDBENAESCNUJWTC-UHFFFAOYSA-N
XLogP1.59
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823122
2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
CID 8842264
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 47093609
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 86934770
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
CID 8823100

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide (CID 8823512) is 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide?
The InChIKey is DBENAESCNUJWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-6-11-8(2)7-12(22-11)14(19)15-17-23(20,21)13-9(3)16-18(5)10(13)4/h7,17H,6H2,1-5H3,(H,15,19).
What are the key properties of 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide has a molecular weight of 356.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 8823512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).