N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

C17H13FN2O3S — CID 122264483

IUPACN'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c18-11-3-5-12(6-4-11)20-17(22)16(21)19-10-13-7-8-14(23-13)15-2-1-9-24-15/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyFTJYXXIGCZANEN-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.40
Rot. Bonds4

About N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 122264483) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID122264483
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c18-11-3-5-12(6-4-11)20-17(22)16(21)19-10-13-7-8-14(23-13)15-2-1-9-24-15/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyFTJYXXIGCZANEN-UHFFFAOYSA-N
XLogP3.40
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.40
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'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264511
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264516
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264535
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 121019150
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 122264483) is N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is O=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is FTJYXXIGCZANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-11-3-5-12(6-4-11)20-17(22)16(21)19-10-13-7-8-14(23-13)15-2-1-9-24-15/h1-9H,10H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 344.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 122264483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).