5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide

C16H23N3O4S — CID 9418515

IUPAC5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C16H23N3O4S/c1-3-12-11(2)10-13(24-12)16(22)18-17-14(20)4-5-15(21)19-6-8-23-9-7-19/h10H,3-9H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyDWRPHZNJURBALL-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.02
Rot. Bonds5

About 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide (PubChem CID 9418515) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide
PubChem CID9418515
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C16H23N3O4S/c1-3-12-11(2)10-13(24-12)16(22)18-17-14(20)4-5-15(21)19-6-8-23-9-7-19/h10H,3-9H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyDWRPHZNJURBALL-UHFFFAOYSA-N
XLogP1.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.02
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-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418304
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418418
N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 30863359
N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 46656583
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418338
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 11941115
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 47093609
4-ethyl-N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-5-propylthiophene-2-carbohydrazide
CID 9278398
(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 25433378

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide (CID 9418515) is 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide?
The InChIKey is DWRPHZNJURBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-12-11(2)10-13(24-12)16(22)18-17-14(20)4-5-15(21)19-6-8-23-9-7-19/h10H,3-9H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide has a molecular weight of 353.44 g/mol, XLogP of 1.02, 5 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-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9418515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).