2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C20H13F3N4O2S — CID 118710480

IUPAC2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3ccsc3)nn2)ccc1O
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)13-2-1-3-14(8-13)24-19(29)16-9-15(4-5-18(16)28)27-10-17(25-26-27)12-6-7-30-11-12/h1-11,28H,(H,24,29)
InChIKeyOMYUXUYWURCKAG-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.97
Rot. Bonds4

About 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710480) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710480
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC Name2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3ccsc3)nn2)ccc1O
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)13-2-1-3-14(8-13)24-19(29)16-9-15(4-5-18(16)28)27-10-17(25-26-27)12-6-7-30-11-12/h1-11,28H,(H,24,29)
InChIKeyOMYUXUYWURCKAG-UHFFFAOYSA-N
XLogP4.97
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710480) is 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3ccsc3)nn2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OMYUXUYWURCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-2-1-3-14(8-13)24-19(29)16-9-15(4-5-18(16)28)27-10-17(25-26-27)12-6-7-30-11-12/h1-11,28H,(H,24,29).
What are the key properties of 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 430.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).