1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide

C20H20FN3O5S2 — CID 43055082

IUPAC1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H20FN3O5S2/c21-14-3-1-12(2-4-14)16-5-6-17(30-16)20(27)23-22-19(26)13-9-18(25)24(10-13)15-7-8-31(28,29)11-15/h1-6,13,15H,7-11H2,(H,22,26)(H,23,27)
InChIKeyXQXOLQGJRWEQJN-UHFFFAOYSA-N
MW465.53 g/mol
LogP1.35
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide

1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 43055082) has the molecular formula C20H20FN3O5S2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID43055082
Molecular FormulaC20H20FN3O5S2
Molecular Weight465.53 g/mol
Exact Mass465.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H20FN3O5S2/c21-14-3-1-12(2-4-14)16-5-6-17(30-16)20(27)23-22-19(26)13-9-18(25)24(10-13)15-7-8-31(28,29)11-15/h1-6,13,15H,7-11H2,(H,22,26)(H,23,27)
InChIKeyXQXOLQGJRWEQJN-UHFFFAOYSA-N
XLogP1.35
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide (CID 43055082) is 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is XQXOLQGJRWEQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S2/c21-14-3-1-12(2-4-14)16-5-6-17(30-16)20(27)23-22-19(26)13-9-18(25)24(10-13)15-7-8-31(28,29)11-15/h1-6,13,15H,7-11H2,(H,22,26)(H,23,27).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide?
1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 465.53 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 43055082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).