N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine

C20H24FNO3S — CID 19382466

IUPACN-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine
SMILESCOC1(c2cc(F)cc(Sc3ccc(C(C)NO)cc3)c2)CCOCC1
InChIInChI=1S/C20H24FNO3S/c1-14(22-23)15-3-5-18(6-4-15)26-19-12-16(11-17(21)13-19)20(24-2)7-9-25-10-8-20/h3-6,11-14,22-23H,7-10H2,1-2H3
InChIKeyPJEASWYPRWUDDZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.67
Rot. Bonds6

About N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine

N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine (PubChem CID 19382466) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine
PubChem CID19382466
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC NameN-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine
SMILESCOC1(c2cc(F)cc(Sc3ccc(C(C)NO)cc3)c2)CCOCC1
InChIInChI=1S/C20H24FNO3S/c1-14(22-23)15-3-5-18(6-4-15)26-19-12-16(11-17(21)13-19)20(24-2)7-9-25-10-8-20/h3-6,11-14,22-23H,7-10H2,1-2H3
InChIKeyPJEASWYPRWUDDZ-UHFFFAOYSA-N
XLogP4.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine?
The IUPAC name of N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine (CID 19382466) is N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine.
What is the SMILES notation for N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine?
The canonical SMILES for N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine is COC1(c2cc(F)cc(Sc3ccc(C(C)NO)cc3)c2)CCOCC1.
What is the InChIKey of N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine?
The InChIKey is PJEASWYPRWUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-14(22-23)15-3-5-18(6-4-15)26-19-12-16(11-17(21)13-19)20(24-2)7-9-25-10-8-20/h3-6,11-14,22-23H,7-10H2,1-2H3.
What are the key properties of N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine?
N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine has a molecular weight of 377.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 19382466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).