[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite

C15H16FN3O5S — CID 22411567

IUPAC[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
SMILESCC(CNC(=O)c1ccc(Oc2ccc(SF)cc2)o1)N(O)C(N)=O
InChIInChI=1S/C15H16FN3O5S/c1-9(19(22)15(17)21)8-18-14(20)12-6-7-13(24-12)23-10-2-4-11(25-16)5-3-10/h2-7,9,22H,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyAMCMEBWHVLUATG-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.94
Rot. Bonds7

About [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite

[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite (PubChem CID 22411567) has the molecular formula C15H16FN3O5S and a molecular weight of 369.37 g/mol. Its IUPAC name is [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
PubChem CID22411567
Molecular FormulaC15H16FN3O5S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
SMILESCC(CNC(=O)c1ccc(Oc2ccc(SF)cc2)o1)N(O)C(N)=O
InChIInChI=1S/C15H16FN3O5S/c1-9(19(22)15(17)21)8-18-14(20)12-6-7-13(24-12)23-10-2-4-11(25-16)5-3-10/h2-7,9,22H,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyAMCMEBWHVLUATG-UHFFFAOYSA-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'}

Analyze [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
CID 22860871
N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide
CID 22860862
1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea
CID 10684116
methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate
CID 3063117
N-(2-hydroxyethyl)-5-(4-methylphenoxy)furan-2-carboxamide
CID 71690489
N-butyl-5-phenoxyfuran-2-carboxamide
CID 127265058
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
N-[(2R)-2-(dimethylamino)propyl]-5-methylfuran-2-carboxamide
CID 94096526
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate
CID 3063118
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
N-[(3-carbamoylphenyl)methyl]-5-phenoxyfuran-2-carboxamide
CID 71863392
N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide
CID 23767729

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
The IUPAC name of [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite (CID 22411567) is [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite.
What is the SMILES notation for [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
The canonical SMILES for [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite is CC(CNC(=O)c1ccc(Oc2ccc(SF)cc2)o1)N(O)C(N)=O.
What is the InChIKey of [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
The InChIKey is AMCMEBWHVLUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O5S/c1-9(19(22)15(17)21)8-18-14(20)12-6-7-13(24-12)23-10-2-4-11(25-16)5-3-10/h2-7,9,22H,8H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of [4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite?
[4-[5-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]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-[2-[carbamoyl(hydroxy)amino]propylcarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite is sourced from PubChem (CID 22411567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).