2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide

C18H14Cl2FNO4S — CID 97012155

IUPAC2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C18H14Cl2FNO4S/c19-12-1-6-16(20)17(9-12)26-10-18(23)22(14-4-2-13(21)3-5-14)15-7-8-27(24,25)11-15/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyQWVYJZWSKOTQMH-OAHLLOKOSA-N
MW430.28 g/mol
LogP3.86
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide

2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 97012155) has the molecular formula C18H14Cl2FNO4S and a molecular weight of 430.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide
PubChem CID97012155
Molecular FormulaC18H14Cl2FNO4S
Molecular Weight430.28 g/mol
Exact Mass429.00
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C18H14Cl2FNO4S/c19-12-1-6-16(20)17(9-12)26-10-18(23)22(14-4-2-13(21)3-5-14)15-7-8-27(24,25)11-15/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyQWVYJZWSKOTQMH-OAHLLOKOSA-N
XLogP3.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide (CID 97012155) is 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide is O=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is QWVYJZWSKOTQMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14Cl2FNO4S/c19-12-1-6-16(20)17(9-12)26-10-18(23)22(14-4-2-13(21)3-5-14)15-7-8-27(24,25)11-15/h1-9,15H,10-11H2/t15-/m1/s1.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide?
2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 430.28 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 97012155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).