N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

C17H24N4O4S — CID 46523932

IUPACN'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1C
InChIInChI=1S/C17H24N4O4S/c1-5-11-10(4)8-12(26-11)14(23)20-19-13(22)9-21-15(24)17(6-2,7-3)18-16(21)25/h8H,5-7,9H2,1-4H3,(H,18,25)(H,19,22)(H,20,23)
InChIKeyDKRYFRQQUVASIB-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.49
Rot. Bonds6

About N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 46523932) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID46523932
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1C
InChIInChI=1S/C17H24N4O4S/c1-5-11-10(4)8-12(26-11)14(23)20-19-13(22)9-21-15(24)17(6-2,7-3)18-16(21)25/h8H,5-7,9H2,1-4H3,(H,18,25)(H,19,22)(H,20,23)
InChIKeyDKRYFRQQUVASIB-UHFFFAOYSA-N
XLogP1.49
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46571607
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
5-ethyl-4-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]thiophene-2-carbohydrazide
CID 9418328
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 51151070
N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
5-ethyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylthiophene-2-carboxamide
CID 9294395
N'-[2-(2,5-dichlorophenoxy)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 35410868
5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide
CID 9418515
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 46523932) is N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1C.
What is the InChIKey of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is DKRYFRQQUVASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-5-11-10(4)8-12(26-11)14(23)20-19-13(22)9-21-15(24)17(6-2,7-3)18-16(21)25/h8H,5-7,9H2,1-4H3,(H,18,25)(H,19,22)(H,20,23).
What are the key properties of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 380.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 46523932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).