N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide

C18H12F3NO3S — CID 90612194

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO3S/c19-18(20,21)12-5-3-11(4-6-12)17(24)22-10-13-7-8-15(26-13)16(23)14-2-1-9-25-14/h1-9H,10H2,(H,22,24)
InChIKeyCTQJJGSVOSDKLP-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.52
Rot. Bonds5

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 90612194) has the molecular formula C18H12F3NO3S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID90612194
Molecular FormulaC18H12F3NO3S
Molecular Weight379.36 g/mol
Exact Mass379.05
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO3S/c19-18(20,21)12-5-3-11(4-6-12)17(24)22-10-13-7-8-15(26-13)16(23)14-2-1-9-25-14/h1-9H,10H2,(H,22,24)
InChIKeyCTQJJGSVOSDKLP-UHFFFAOYSA-N
XLogP4.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90612474
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90612252
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613186
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
1-[(5-benzoylthiophen-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90613181

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide (CID 90612194) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CTQJJGSVOSDKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3S/c19-18(20,21)12-5-3-11(4-6-12)17(24)22-10-13-7-8-15(26-13)16(23)14-2-1-9-25-14/h1-9H,10H2,(H,22,24).
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 379.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90612194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).