N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide

C14H16FN3O3S — CID 9157027

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CN1CCCC1=O
InChIInChI=1S/C14H16FN3O3S/c15-10-4-1-2-5-11(10)22-9-13(20)17-16-12(19)8-18-7-3-6-14(18)21/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,20)
InChIKeyXSHPNFBLVHVKBK-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.69
Rot. Bonds5

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide (PubChem CID 9157027) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide
PubChem CID9157027
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CN1CCCC1=O
InChIInChI=1S/C14H16FN3O3S/c15-10-4-1-2-5-11(10)22-9-13(20)17-16-12(19)8-18-7-3-6-14(18)21/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,20)
InChIKeyXSHPNFBLVHVKBK-UHFFFAOYSA-N
XLogP0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 24980954
1-[2-(phenylsulfanyl)acetyl]tetrahydro-3H-pyrazol-3-one
CID 1487862
2-(4-fluorophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 45864730
2-(3,4-difluorophenyl)sulfanyl-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 72130104
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylsulfanylpropanamide
CID 45864731
N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 2520472
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3355434
N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3436521
N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7969798
N-[(2R)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7969802
2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8770996
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9078072

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide (CID 9157027) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide is O=C(CSc1ccccc1F)NNC(=O)CN1CCCC1=O.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide?
The InChIKey is XSHPNFBLVHVKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c15-10-4-1-2-5-11(10)22-9-13(20)17-16-12(19)8-18-7-3-6-14(18)21/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide has a molecular weight of 325.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide is sourced from PubChem (CID 9157027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).