(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide

C19H21FN2O2S — CID 7969992

IUPAC(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide
SMILESCCCC(C(=O)NNC(=O)CSc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O2S/c1-2-8-15(14-9-4-3-5-10-14)19(24)22-21-18(23)13-25-17-12-7-6-11-16(17)20/h3-7,9-12,15H,2,8,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNRAPUWTTZBSIPT-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.65
Rot. Bonds7

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

(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide (PubChem CID 7969992) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide
PubChem CID7969992
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide
SMILESCCCC(C(=O)NNC(=O)CSc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O2S/c1-2-8-15(14-9-4-3-5-10-14)19(24)22-21-18(23)13-25-17-12-7-6-11-16(17)20/h3-7,9-12,15H,2,8,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNRAPUWTTZBSIPT-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.65
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 (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide?
The IUPAC name of (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide (CID 7969992) is (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide?
The canonical SMILES for (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide is CCCC(C(=O)NNC(=O)CSc1ccccc1F)c1ccccc1.
What is the InChIKey of (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide?
The InChIKey is NRAPUWTTZBSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-2-8-15(14-9-4-3-5-10-14)19(24)22-21-18(23)13-25-17-12-7-6-11-16(17)20/h3-7,9-12,15H,2,8,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide?
(2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide has a molecular weight of 360.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylpentanehydrazide is sourced from PubChem (CID 7969992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).