N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide

C15H13F3N2O3S — CID 139833835

IUPACN'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3S/c1-23-11-6-9(15(16,17)18)5-10(7-11)20-14(22)13(21)19-8-12-3-2-4-24-12/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyFPOIOSQGZOJSRF-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.03
Rot. Bonds4

About N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 139833835) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID139833835
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3S/c1-23-11-6-9(15(16,17)18)5-10(7-11)20-14(22)13(21)19-8-12-3-2-4-24-12/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyFPOIOSQGZOJSRF-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.03
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-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-[3-nitro-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833851
N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833853
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide (CID 139833835) is N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide is COc1cc(NC(=O)C(=O)NCc2cccs2)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is FPOIOSQGZOJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-23-11-6-9(15(16,17)18)5-10(7-11)20-14(22)13(21)19-8-12-3-2-4-24-12/h2-7H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 358.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 139833835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).