2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide

C19H20FNO4S — CID 54352321

IUPAC2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide
SMILESO=C(CC1(c2ccc(-c3ccc(F)cc3)cc2)CCCCS1(=O)=O)NO
InChIInChI=1S/C19H20FNO4S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(22)21-23)11-1-2-12-26(19,24)25/h3-10,23H,1-2,11-13H2,(H,21,22)
InChIKeyUGQGPOYYHVHKPN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide

2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide (PubChem CID 54352321) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide
PubChem CID54352321
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide
SMILESO=C(CC1(c2ccc(-c3ccc(F)cc3)cc2)CCCCS1(=O)=O)NO
InChIInChI=1S/C19H20FNO4S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(22)21-23)11-1-2-12-26(19,24)25/h3-10,23H,1-2,11-13H2,(H,21,22)
InChIKeyUGQGPOYYHVHKPN-UHFFFAOYSA-N
XLogP3.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide (CID 54352321) is 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide is O=C(CC1(c2ccc(-c3ccc(F)cc3)cc2)CCCCS1(=O)=O)NO.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide?
The InChIKey is UGQGPOYYHVHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(22)21-23)11-1-2-12-26(19,24)25/h3-10,23H,1-2,11-13H2,(H,21,22).
What are the key properties of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide?
2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide has a molecular weight of 377.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 54352321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).