N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide

C18H19FN2O3S — CID 9417849

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C18H19FN2O3S/c1-24-15-8-4-2-6-13(15)10-11-17(22)20-21-18(23)12-25-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyWNCWPXGEHCASPU-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.71
Rot. Bonds7

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide (PubChem CID 9417849) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
PubChem CID9417849
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C18H19FN2O3S/c1-24-15-8-4-2-6-13(15)10-11-17(22)20-21-18(23)12-25-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyWNCWPXGEHCASPU-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.71
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-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
CID 9418010
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
CID 24641286

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide (CID 9417849) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide is COc1ccccc1CCC(=O)NNC(=O)CSc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide?
The InChIKey is WNCWPXGEHCASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-24-15-8-4-2-6-13(15)10-11-17(22)20-21-18(23)12-25-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide has a molecular weight of 362.43 g/mol, XLogP of 2.71, 7 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]-3-(2-methoxyphenyl)propanehydrazide is sourced from PubChem (CID 9417849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).