2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

C20H15ClF2N2O4S2 — CID 25262907

IUPAC2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H15ClF2N2O4S2/c21-12-3-8-16(15(22)9-12)29-18(19(26)25-20-24-10-17(23)30-20)11-1-4-13(5-2-11)31(27,28)14-6-7-14/h1-5,8-10,14,18H,6-7H2,(H,24,25,26)
InChIKeyLVRLBAQLIVAZIQ-UHFFFAOYSA-N
MW484.93 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (PubChem CID 25262907) has the molecular formula C20H15ClF2N2O4S2 and a molecular weight of 484.93 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
PubChem CID25262907
Molecular FormulaC20H15ClF2N2O4S2
Molecular Weight484.93 g/mol
Exact Mass484.01
IUPAC Name2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H15ClF2N2O4S2/c21-12-3-8-16(15(22)9-12)29-18(19(26)25-20-24-10-17(23)30-20)11-1-4-13(5-2-11)31(27,28)14-6-7-14/h1-5,8-10,14,18H,6-7H2,(H,24,25,26)
InChIKeyLVRLBAQLIVAZIQ-UHFFFAOYSA-N
XLogP4.77
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.93
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (CID 25262907) is 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is O=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The InChIKey is LVRLBAQLIVAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O4S2/c21-12-3-8-16(15(22)9-12)29-18(19(26)25-20-24-10-17(23)30-20)11-1-4-13(5-2-11)31(27,28)14-6-7-14/h1-5,8-10,14,18H,6-7H2,(H,24,25,26).
What are the key properties of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide has a molecular weight of 484.93 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 25262907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).