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

C20H16ClFN2O4S2 — CID 25262905

IUPAC2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H16ClFN2O4S2/c21-13-3-8-17(16(22)11-13)28-18(19(25)24-20-23-9-10-29-20)12-1-4-14(5-2-12)30(26,27)15-6-7-15/h1-5,8-11,15,18H,6-7H2,(H,23,24,25)
InChIKeyGJYKTVKMGCUKOM-UHFFFAOYSA-N
MW466.94 g/mol
LogP4.63
Rot. Bonds7

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

2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 25262905) has the molecular formula C20H16ClFN2O4S2 and a molecular weight of 466.94 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID25262905
Molecular FormulaC20H16ClFN2O4S2
Molecular Weight466.94 g/mol
Exact Mass466.02
IUPAC Name2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H16ClFN2O4S2/c21-13-3-8-17(16(22)11-13)28-18(19(25)24-20-23-9-10-29-20)12-1-4-14(5-2-12)30(26,27)15-6-7-15/h1-5,8-11,15,18H,6-7H2,(H,23,24,25)
InChIKeyGJYKTVKMGCUKOM-UHFFFAOYSA-N
XLogP4.63
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 25262905) is 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GJYKTVKMGCUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4S2/c21-13-3-8-17(16(22)11-13)28-18(19(25)24-20-23-9-10-29-20)12-1-4-14(5-2-12)30(26,27)15-6-7-15/h1-5,8-11,15,18H,6-7H2,(H,23,24,25).
What are the key properties of 2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 466.94 g/mol, XLogP of 4.63, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 25262905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).