N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C17H22N4O4S — CID 46571607

IUPACN'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cc3c(s2)CCC3)C1=O
InChIInChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)18-17)9-13(22)19-20-14(23)12-8-10-6-5-7-11(10)26-12/h8H,3-7,9H2,1-2H3,(H,18,25)(H,19,22)(H,20,23)
InChIKeyZIWNIDMWNWBJLN-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.11
Rot. Bonds5

About N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 46571607) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID46571607
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cc3c(s2)CCC3)C1=O
InChIInChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)18-17)9-13(22)19-20-14(23)12-8-10-6-5-7-11(10)26-12/h8H,3-7,9H2,1-2H3,(H,18,25)(H,19,22)(H,20,23)
InChIKeyZIWNIDMWNWBJLN-UHFFFAOYSA-N
XLogP1.11
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.11
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-ethyl-4-methylthiophene-2-carbohydrazide
CID 46523932
N'-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 41134731
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4826490
N'-[2-(2-oxo-1-pyridinyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46524104
N'-pentanoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845764
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31363689
N'-(4-ethyl-5-methylthiophene-2-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 17479567
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N'-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 32811798
N'-[2-(4-chlorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684454

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 46571607) is N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cc3c(s2)CCC3)C1=O.
What is the InChIKey of N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is ZIWNIDMWNWBJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)18-17)9-13(22)19-20-14(23)12-8-10-6-5-7-11(10)26-12/h8H,3-7,9H2,1-2H3,(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]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 378.45 g/mol, XLogP of 1.11, 5 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 46571607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).