N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide

C15H13F3N2O3S — CID 71782461

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC(O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)9-3-5-10(6-4-9)20-14(23)13(22)19-8-11(21)12-2-1-7-24-12/h1-7,11,21H,8H2,(H,19,22)(H,20,23)
InChIKeyAJLXCIHALSBBFX-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.56
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 71782461) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID71782461
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC(O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)9-3-5-10(6-4-9)20-14(23)13(22)19-8-11(21)12-2-1-7-24-12/h1-7,11,21H,8H2,(H,19,22)(H,20,23)
InChIKeyAJLXCIHALSBBFX-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500125
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
CID 71787902

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 71782461) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCC(O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is AJLXCIHALSBBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)9-3-5-10(6-4-9)20-14(23)13(22)19-8-11(21)12-2-1-7-24-12/h1-7,11,21H,8H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 358.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 71782461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).