N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C23H20F3N5O2S — CID 71185596

IUPACN-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1ccc(-c2ccc(N(C)CCNC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)s2)nc1
InChIInChI=1S/C23H20F3N5O2S/c1-14-6-7-17(28-13-14)18-8-9-19(34-18)31(2)11-10-27-21(32)16-5-3-4-15(12-16)20-29-22(33-30-20)23(24,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,27,32)
InChIKeyJERBQMORRITSED-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.05
Rot. Bonds7

About N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71185596) has the molecular formula C23H20F3N5O2S and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71185596
Molecular FormulaC23H20F3N5O2S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC NameN-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1ccc(-c2ccc(N(C)CCNC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)s2)nc1
InChIInChI=1S/C23H20F3N5O2S/c1-14-6-7-17(28-13-14)18-8-9-19(34-18)31(2)11-10-27-21(32)16-5-3-4-15(12-16)20-29-22(33-30-20)23(24,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,27,32)
InChIKeyJERBQMORRITSED-UHFFFAOYSA-N
XLogP5.05
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide 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 N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71185596) is N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is Cc1ccc(-c2ccc(N(C)CCNC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)s2)nc1.
What is the InChIKey of N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is JERBQMORRITSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S/c1-14-6-7-17(28-13-14)18-8-9-19(34-18)31(2)11-10-27-21(32)16-5-3-4-15(12-16)20-29-22(33-30-20)23(24,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 487.51 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71185596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).