N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide

C19H21FN2O5S — CID 55429660

IUPACN'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C19H21FN2O5S/c20-16-4-2-1-3-15(16)17-7-5-14(27-17)6-8-18(23)21-22-19(24)11-13-9-10-28(25,26)12-13/h1-5,7,13H,6,8-12H2,(H,21,23)(H,22,24)
InChIKeyWPJMUPSQVAJSDO-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.99
Rot. Bonds6

About N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide

N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide (PubChem CID 55429660) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide
PubChem CID55429660
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C19H21FN2O5S/c20-16-4-2-1-3-15(16)17-7-5-14(27-17)6-8-18(23)21-22-19(24)11-13-9-10-28(25,26)12-13/h1-5,7,13H,6,8-12H2,(H,21,23)(H,22,24)
InChIKeyWPJMUPSQVAJSDO-UHFFFAOYSA-N
XLogP1.99
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.99
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

N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
CID 8940082
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 8940077
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 8938962
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
N-(2-amino-1-cyclopropylethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119614985
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpiperidin-4-yl)propanamide
CID 120600684
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
CID 119646062
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide?
The IUPAC name of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide (CID 55429660) is N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide.
What is the SMILES notation for N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide?
The canonical SMILES for N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide is O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide?
The InChIKey is WPJMUPSQVAJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c20-16-4-2-1-3-15(16)17-7-5-14(27-17)6-8-18(23)21-22-19(24)11-13-9-10-28(25,26)12-13/h1-5,7,13H,6,8-12H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide?
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide has a molecular weight of 408.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide is sourced from PubChem (CID 55429660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).