(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide

C15H19FN2O5S2 — CID 9373593

IUPAC(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19FN2O5S2/c1-10(23-13-5-3-2-4-12(13)16)15(20)18-17-14(19)8-24-11-6-7-25(21,22)9-11/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H,18,20)/t10-,11+/m0/s1
InChIKeyJNUPXHXNSXDSHC-WDEREUQCSA-N
MW390.46 g/mol
LogP0.66
Rot. Bonds6

About (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide

(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide (PubChem CID 9373593) has the molecular formula C15H19FN2O5S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide
PubChem CID9373593
Molecular FormulaC15H19FN2O5S2
Molecular Weight390.46 g/mol
Exact Mass390.07
IUPAC Name(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19FN2O5S2/c1-10(23-13-5-3-2-4-12(13)16)15(20)18-17-14(19)8-24-11-6-7-25(21,22)9-11/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H,18,20)/t10-,11+/m0/s1
InChIKeyJNUPXHXNSXDSHC-WDEREUQCSA-N
XLogP0.66
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide with MolForge

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide
CID 46653754
(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160548
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 78812996
[(2R)-1-anilino-1-oxopropan-2-yl] 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8725046
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8725040
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide (CID 9373593) is (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide?
The InChIKey is JNUPXHXNSXDSHC-WDEREUQCSA-N. The full InChI is InChI=1S/C15H19FN2O5S2/c1-10(23-13-5-3-2-4-12(13)16)15(20)18-17-14(19)8-24-11-6-7-25(21,22)9-11/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H,18,20)/t10-,11+/m0/s1.
What are the key properties of (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide?
(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide has a molecular weight of 390.46 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9373593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).