3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C20H17F3N4O3S — CID 46482309

IUPAC3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1nc(CSCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C20H17F3N4O3S/c1-12-24-17(27-30-12)10-31-11-18(28)25-15-6-2-4-13(8-15)19(29)26-16-7-3-5-14(9-16)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyNVWQESGJBMDQSV-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.52
Rot. Bonds7

About 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 46482309) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID46482309
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC Name3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1nc(CSCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C20H17F3N4O3S/c1-12-24-17(27-30-12)10-31-11-18(28)25-15-6-2-4-13(8-15)19(29)26-16-7-3-5-14(9-16)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyNVWQESGJBMDQSV-UHFFFAOYSA-N
XLogP4.52
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
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N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146088445
3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86885102
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54811040
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54815970
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 46482309) is 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1nc(CSCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)no1.
What is the InChIKey of 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NVWQESGJBMDQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-12-24-17(27-30-12)10-31-11-18(28)25-15-6-2-4-13(8-15)19(29)26-16-7-3-5-14(9-16)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 450.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46482309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).