N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C22H17F3N4O4S — CID 38937706

IUPACN-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C22H17F3N4O4S/c23-22(24,25)14-12-13(26-21(31)16-4-2-10-32-16)8-9-15(14)27-18(30)6-1-7-19-28-20(29-33-19)17-5-3-11-34-17/h2-5,8-12H,1,6-7H2,(H,26,31)(H,27,30)
InChIKeyPJKGWYULXXOFGE-UHFFFAOYSA-N
MW490.46 g/mol
LogP5.62
Rot. Bonds8

About N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 38937706) has the molecular formula C22H17F3N4O4S and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID38937706
Molecular FormulaC22H17F3N4O4S
Molecular Weight490.46 g/mol
Exact Mass490.09
IUPAC NameN-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C22H17F3N4O4S/c23-22(24,25)14-12-13(26-21(31)16-4-2-10-32-16)8-9-15(14)27-18(30)6-1-7-19-28-20(29-33-19)17-5-3-11-34-17/h2-5,8-12H,1,6-7H2,(H,26,31)(H,27,30)
InChIKeyPJKGWYULXXOFGE-UHFFFAOYSA-N
XLogP5.62
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062453
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55871998
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-[4-(dimethylamino)-3,5-difluorophenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862290

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 38937706) is N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is PJKGWYULXXOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S/c23-22(24,25)14-12-13(26-21(31)16-4-2-10-32-16)8-9-15(14)27-18(30)6-1-7-19-28-20(29-33-19)17-5-3-11-34-17/h2-5,8-12H,1,6-7H2,(H,26,31)(H,27,30).
What are the key properties of N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 490.46 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 38937706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).