N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

C19H19N3O4S — CID 9418418

IUPACN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C
InChIInChI=1S/C19H19N3O4S/c1-3-14-11(2)10-15(27-14)17(24)21-20-16(23)8-9-22-18(25)12-6-4-5-7-13(12)19(22)26/h4-7,10H,3,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQLPJVKBFWWSZBN-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.07
Rot. Bonds5

About N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 9418418) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID9418418
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C
InChIInChI=1S/C19H19N3O4S/c1-3-14-11(2)10-15(27-14)17(24)21-20-16(23)8-9-22-18(25)12-6-4-5-7-13(12)19(22)26/h4-7,10H,3,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQLPJVKBFWWSZBN-UHFFFAOYSA-N
XLogP2.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
N'-[2-(4-benzylpiperazin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 30863359
N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110660112
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 8915094
N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 46523932
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 1283831
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 9418418) is N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C.
What is the InChIKey of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is QLPJVKBFWWSZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-14-11(2)10-15(27-14)17(24)21-20-16(23)8-9-22-18(25)12-6-4-5-7-13(12)19(22)26/h4-7,10H,3,8-9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 385.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9418418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).