(4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

C16H16FNO5S2 — CID 24978773

IUPAC(4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Oc1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S2/c17-12-1-3-13(4-2-12)23-15(19)11-14-5-6-16(24-14)25(20,21)18-7-9-22-10-8-18/h1-6H,7-11H2
InChIKeyYJWOMLMHQDRKMT-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.06
Rot. Bonds5

About (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

(4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (PubChem CID 24978773) has the molecular formula C16H16FNO5S2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
PubChem CID24978773
Molecular FormulaC16H16FNO5S2
Molecular Weight385.44 g/mol
Exact Mass385.05
IUPAC Name(4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Oc1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S2/c17-12-1-3-13(4-2-12)23-15(19)11-14-5-6-16(24-14)25(20,21)18-7-9-22-10-8-18/h1-6H,7-11H2
InChIKeyYJWOMLMHQDRKMT-UHFFFAOYSA-N
XLogP2.06
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (CID 24978773) is (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is YJWOMLMHQDRKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S2/c17-12-1-3-13(4-2-12)23-15(19)11-14-5-6-16(24-14)25(20,21)18-7-9-22-10-8-18/h1-6H,7-11H2.
What are the key properties of (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
(4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 385.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 24978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).