3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide

C17H22FN3O3S — CID 9218908

IUPAC3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H22FN3O3S/c18-13-5-7-14(8-6-13)25-11-9-15(22)19-20-16(23)12-21-10-3-1-2-4-17(21)24/h5-8H,1-4,9-12H2,(H,19,22)(H,20,23)
InChIKeyOXGAMBSGWNZIFZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.86
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide

3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide (PubChem CID 9218908) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide
PubChem CID9218908
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Name3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H22FN3O3S/c18-13-5-7-14(8-6-13)25-11-9-15(22)19-20-16(23)12-21-10-3-1-2-4-17(21)24/h5-8H,1-4,9-12H2,(H,19,22)(H,20,23)
InChIKeyOXGAMBSGWNZIFZ-UHFFFAOYSA-N
XLogP1.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide (CID 9218908) is 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide is O=C(CCSc1ccc(F)cc1)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide?
The InChIKey is OXGAMBSGWNZIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c18-13-5-7-14(8-6-13)25-11-9-15(22)19-20-16(23)12-21-10-3-1-2-4-17(21)24/h5-8H,1-4,9-12H2,(H,19,22)(H,20,23).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide?
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide has a molecular weight of 367.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 9218908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).