N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C19H15F3N2O4S — CID 121133649

IUPACN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O4S/c20-19(21,22)12-4-1-2-5-13(12)24-18(27)17(26)23-10-11-7-8-15(29-11)16(25)14-6-3-9-28-14/h1-9,16,25H,10H2,(H,23,26)(H,24,27)
InChIKeyACNCEZWMNUVHDU-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.70
Rot. Bonds5

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

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 121133649) has the molecular formula C19H15F3N2O4S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID121133649
Molecular FormulaC19H15F3N2O4S
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O4S/c20-19(21,22)12-4-1-2-5-13(12)24-18(27)17(26)23-10-11-7-8-15(29-11)16(25)14-6-3-9-28-14/h1-9,16,25H,10H2,(H,23,26)(H,24,27)
InChIKeyACNCEZWMNUVHDU-UHFFFAOYSA-N
XLogP3.70
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 121133600
N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 121133625
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 97106557
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 119101900
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607

Frequently Asked Questions

What is the IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 121133649) is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is O=C(NCc1ccc(C(O)c2ccco2)s1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is ACNCEZWMNUVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4S/c20-19(21,22)12-4-1-2-5-13(12)24-18(27)17(26)23-10-11-7-8-15(29-11)16(25)14-6-3-9-28-14/h1-9,16,25H,10H2,(H,23,26)(H,24,27).
What are the key properties of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 424.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 121133649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).