N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide

C19H15F3N2O5S — CID 121018502

IUPACN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O5S/c20-19(21,22)29-14-5-3-13(4-6-14)24-17(26)16(25)23-11-18(27,12-7-8-28-10-12)15-2-1-9-30-15/h1-10,27H,11H2,(H,23,25)(H,24,26)
InChIKeyYWLXAERNBIDRBA-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 121018502) has the molecular formula C19H15F3N2O5S and a molecular weight of 440.40 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID121018502
Molecular FormulaC19H15F3N2O5S
Molecular Weight440.40 g/mol
Exact Mass440.07
IUPAC NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O5S/c20-19(21,22)29-14-5-3-13(4-6-14)24-17(26)16(25)23-11-18(27,12-7-8-28-10-12)15-2-1-9-30-15/h1-10,27H,11H2,(H,23,25)(H,24,26)
InChIKeyYWLXAERNBIDRBA-UHFFFAOYSA-N
XLogP3.23
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 124892626
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
CID 129418180
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417009
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (CID 121018502) is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is O=C(NCC(O)(c1ccoc1)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is YWLXAERNBIDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O5S/c20-19(21,22)29-14-5-3-13(4-6-14)24-17(26)16(25)23-11-18(27,12-7-8-28-10-12)15-2-1-9-30-15/h1-10,27H,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 440.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 121018502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).