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

C15H10F6N2O2S — CID 139833843

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N2O2S/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)23-13(25)12(24)22-7-11-2-1-3-26-11/h1-6H,7H2,(H,22,24)(H,23,25)
InChIKeyGAAKIUPICXNPRK-UHFFFAOYSA-N
MW396.31 g/mol
LogP4.04
Rot. Bonds3

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

N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 139833843) has the molecular formula C15H10F6N2O2S and a molecular weight of 396.31 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID139833843
Molecular FormulaC15H10F6N2O2S
Molecular Weight396.31 g/mol
Exact Mass396.04
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N2O2S/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)23-13(25)12(24)22-7-11-2-1-3-26-11/h1-6H,7H2,(H,22,24)(H,23,25)
InChIKeyGAAKIUPICXNPRK-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
N'-[3-nitro-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833851
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90583751
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide (CID 139833843) is N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is GAAKIUPICXNPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O2S/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)23-13(25)12(24)22-7-11-2-1-3-26-11/h1-6H,7H2,(H,22,24)(H,23,25).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 396.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 139833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).