N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide

C14H12F2N2O3S — CID 90500143

IUPACN'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
SMILESO=C(NCC(O)c1cccs1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O3S/c15-8-3-4-9(16)10(6-8)18-14(21)13(20)17-7-11(19)12-2-1-5-22-12/h1-6,11,19H,7H2,(H,17,20)(H,18,21)
InChIKeyIAXOPSGAVYEVOA-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.81
Rot. Bonds4

About N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide

N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide (PubChem CID 90500143) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
PubChem CID90500143
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC NameN'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
SMILESO=C(NCC(O)c1cccs1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O3S/c15-8-3-4-9(16)10(6-8)18-14(21)13(20)17-7-11(19)12-2-1-5-22-12/h1-6,11,19H,7H2,(H,17,20)(H,18,21)
InChIKeyIAXOPSGAVYEVOA-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.81
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'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835121
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500125
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613602
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050758
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
CID 108889251

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide (CID 90500143) is N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide is O=C(NCC(O)c1cccs1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The InChIKey is IAXOPSGAVYEVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c15-8-3-4-9(16)10(6-8)18-14(21)13(20)17-7-11(19)12-2-1-5-22-12/h1-6,11,19H,7H2,(H,17,20)(H,18,21).
What are the key properties of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide has a molecular weight of 326.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide is sourced from PubChem (CID 90500143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).