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

C17H17FN2O5S — CID 8940082

IUPACN'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H17FN2O5S/c18-13-4-2-1-3-12(13)14-5-6-15(25-14)17(22)20-19-16(21)9-11-7-8-26(23,24)10-11/h1-6,11H,7-10H2,(H,19,21)(H,20,22)/t11-/m0/s1
InChIKeyAZYXYZSRUURYCQ-NSHDSACASA-N
MW380.40 g/mol
LogP1.67
Rot. Bonds4

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

N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide (PubChem CID 8940082) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
PubChem CID8940082
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC NameN'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H17FN2O5S/c18-13-4-2-1-3-12(13)14-5-6-15(25-14)17(22)20-19-16(21)9-11-7-8-26(23,24)10-11/h1-6,11H,7-10H2,(H,19,21)(H,20,22)/t11-/m0/s1
InChIKeyAZYXYZSRUURYCQ-NSHDSACASA-N
XLogP1.67
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.67
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-(1,1-dioxothiolan-3-yl)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanehydrazide
CID 55429660
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 8940077
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 36750167
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 8938962
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
CID 70748000
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
CID 42888277
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-fluoro-4-methylbenzohydrazide
CID 8940088
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-fluoro-4-methylbenzohydrazide
CID 8940091
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011479
2-benzoyl-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938591
2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938593
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-phenoxybenzohydrazide
CID 8938684

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide (CID 8940082) is N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide is O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
The InChIKey is AZYXYZSRUURYCQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-13-4-2-1-3-12(13)14-5-6-15(25-14)17(22)20-19-16(21)9-11-7-8-26(23,24)10-11/h1-6,11H,7-10H2,(H,19,21)(H,20,22)/t11-/m0/s1.
What are the key properties of N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 8940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).