N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C19H15F3N2O4S — CID 129416791

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O4S/c20-19(21,22)12-5-1-2-6-13(12)24-17(26)16(25)23-11-18(27,14-7-3-9-28-14)15-8-4-10-29-15/h1-10,27H,11H2,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyHMJGZGFIPLDHRB-GOSISDBHSA-N
MW424.40 g/mol
LogP3.35
Rot. Bonds5

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

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 129416791) has the molecular formula C19H15F3N2O4S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID129416791
Molecular FormulaC19H15F3N2O4S
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O4S/c20-19(21,22)12-5-1-2-6-13(12)24-17(26)16(25)23-11-18(27,14-7-3-9-28-14)15-8-4-10-29-15/h1-10,27H,11H2,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyHMJGZGFIPLDHRB-GOSISDBHSA-N
XLogP3.35
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 ≤ 53.35
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

1-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 119099265
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129416529
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 100687429
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 129417963
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816644
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 129416791) is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is HMJGZGFIPLDHRB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15F3N2O4S/c20-19(21,22)12-5-1-2-6-13(12)24-17(26)16(25)23-11-18(27,14-7-3-9-28-14)15-8-4-10-29-15/h1-10,27H,11H2,(H,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 424.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 129416791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).