2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C19H16F3N3O5S2 — CID 24960868

IUPAC2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCC(Oc1ccc(OC(F)(F)F)cn1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H16F3N3O5S2/c1-18(16(26)25-17-23-9-10-31-17,12-3-6-14(7-4-12)32(2,27)28)30-15-8-5-13(11-24-15)29-19(20,21)22/h3-11H,1-2H3,(H,23,25,26)
InChIKeyCFGXLPAOARLJSR-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.77
Rot. Bonds7

About 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 24960868) has the molecular formula C19H16F3N3O5S2 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID24960868
Molecular FormulaC19H16F3N3O5S2
Molecular Weight487.48 g/mol
Exact Mass487.05
IUPAC Name2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCC(Oc1ccc(OC(F)(F)F)cn1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H16F3N3O5S2/c1-18(16(26)25-17-23-9-10-31-17,12-3-6-14(7-4-12)32(2,27)28)30-15-8-5-13(11-24-15)29-19(20,21)22/h3-11H,1-2H3,(H,23,25,26)
InChIKeyCFGXLPAOARLJSR-UHFFFAOYSA-N
XLogP3.77
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 24960868) is 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CC(Oc1ccc(OC(F)(F)F)cn1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is CFGXLPAOARLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O5S2/c1-18(16(26)25-17-23-9-10-31-17,12-3-6-14(7-4-12)32(2,27)28)30-15-8-5-13(11-24-15)29-19(20,21)22/h3-11H,1-2H3,(H,23,25,26).
What are the key properties of 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 487.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)-2-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 24960868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).