[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite

C15H16FN3O5S — CID 22860871

IUPAC[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
SMILESC[C@H](CN(O)C(=O)c1ccc(Oc2ccc(SF)cc2)o1)NC(N)=O
InChIInChI=1S/C15H16FN3O5S/c1-9(18-15(17)21)8-19(22)14(20)12-6-7-13(24-12)23-10-2-4-11(25-16)5-3-10/h2-7,9,22H,8H2,1H3,(H3,17,18,21)/t9-/m1/s1
InChIKeyHIYBFRVFRWJYFF-SECBINFHSA-N
MW369.37 g/mol
LogP2.94
Rot. Bonds7

About [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite

[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite (PubChem CID 22860871) has the molecular formula C15H16FN3O5S and a molecular weight of 369.37 g/mol. Its IUPAC name is [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
PubChem CID22860871
Molecular FormulaC15H16FN3O5S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
SMILESC[C@H](CN(O)C(=O)c1ccc(Oc2ccc(SF)cc2)o1)NC(N)=O
InChIInChI=1S/C15H16FN3O5S/c1-9(18-15(17)21)8-19(22)14(20)12-6-7-13(24-12)23-10-2-4-11(25-16)5-3-10/h2-7,9,22H,8H2,1H3,(H3,17,18,21)/t9-/m1/s1
InChIKeyHIYBFRVFRWJYFF-SECBINFHSA-N
XLogP2.94
TPSA118.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
The IUPAC name of [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite (CID 22860871) is [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite.
What is the SMILES notation for [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
The canonical SMILES for [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite is C[C@H](CN(O)C(=O)c1ccc(Oc2ccc(SF)cc2)o1)NC(N)=O.
What is the InChIKey of [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
The InChIKey is HIYBFRVFRWJYFF-SECBINFHSA-N. The full InChI is InChI=1S/C15H16FN3O5S/c1-9(18-15(17)21)8-19(22)14(20)12-6-7-13(24-12)23-10-2-4-11(25-16)5-3-10/h2-7,9,22H,8H2,1H3,(H3,17,18,21)/t9-/m1/s1.
What are the key properties of [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite has a molecular weight of 369.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite is sourced from PubChem (CID 22860871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).