2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C19H14Cl2F6N2O4S2 — CID 141447155

About 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 141447155) has the molecular formula C19H14Cl2F6N2O4S2 and a molecular weight of 583.36 g/mol. Its IUPAC name is 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 141447155
• Molecular Formula: C19H14Cl2F6N2O4S2
• Molecular Weight: 583.36 g/mol
• Exact Mass: 581.97
• IUPAC Name: 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1S(=O)(=O)CC(=O)NCC(F)(F)F
• InChI: InChI=1S/C19H14Cl2F6N2O4S2/c1-9-2-14(34-16(9)35(31,32)7-15(30)28-8-18(22,23)24)13-6-17(33-29-13,19(25,26)27)10-3-11(20)5-12(21)4-10/h2-5H,6-8H2,1H3,(H,28,30)
• InChIKey: UPJODTRUKKBGSS-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 84.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.36
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 141447155) is 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1S(=O)(=O)CC(=O)NCC(F)(F)F.

What is the InChIKey of 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is UPJODTRUKKBGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F6N2O4S2/c1-9-2-14(34-16(9)35(31,32)7-15(30)28-8-18(22,23)24)13-6-17(33-29-13,19(25,26)27)10-3-11(20)5-12(21)4-10/h2-5H,6-8H2,1H3,(H,28,30).

What are the key properties of 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?

2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 583.36 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 141447155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).