N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide

C18H13F3N2O3S — CID 121019149

IUPACN-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O3S/c19-18(20,21)11-3-1-4-12(9-11)23-17(25)16(24)22-10-13-6-7-14(26-13)15-5-2-8-27-15/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyDSHKKGXLOMPSLL-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.28
Rot. Bonds4

About N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 121019149) has the molecular formula C18H13F3N2O3S and a molecular weight of 394.37 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID121019149
Molecular FormulaC18H13F3N2O3S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O3S/c19-18(20,21)11-3-1-4-12(9-11)23-17(25)16(24)22-10-13-6-7-14(26-13)15-5-2-8-27-15/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyDSHKKGXLOMPSLL-UHFFFAOYSA-N
XLogP4.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90583751
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264535
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119101817
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
N'-[3-nitro-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833851
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 121019149) is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is DSHKKGXLOMPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3S/c19-18(20,21)11-3-1-4-12(9-11)23-17(25)16(24)22-10-13-6-7-14(26-13)15-5-2-8-27-15/h1-9H,10H2,(H,22,24)(H,23,25).
What are the key properties of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 394.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 121019149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).