(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide

C18H19FN2O2S — CID 7969923

IUPAC(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide
SMILESC[C@@H](CC(=O)NNC(=O)CSc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H19FN2O2S/c1-13(14-7-3-2-4-8-14)11-17(22)20-21-18(23)12-24-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyXJSINJSZLSHOAU-ZDUSSCGKSA-N
MW346.43 g/mol
LogP3.26
Rot. Bonds6

About (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide

(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide (PubChem CID 7969923) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide.

Molecular Properties

Compound Name(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide
PubChem CID7969923
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide
SMILESC[C@@H](CC(=O)NNC(=O)CSc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H19FN2O2S/c1-13(14-7-3-2-4-8-14)11-17(22)20-21-18(23)12-24-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyXJSINJSZLSHOAU-ZDUSSCGKSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide?
The IUPAC name of (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide (CID 7969923) is (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide.
What is the SMILES notation for (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide?
The canonical SMILES for (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide is C[C@@H](CC(=O)NNC(=O)CSc1ccccc1F)c1ccccc1.
What is the InChIKey of (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide?
The InChIKey is XJSINJSZLSHOAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-13(14-7-3-2-4-8-14)11-17(22)20-21-18(23)12-24-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide?
(3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide has a molecular weight of 346.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylbutanehydrazide is sourced from PubChem (CID 7969923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).