N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide

C15H15FN2O3S — CID 90499889

IUPACN'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H15FN2O3S/c1-15(21,12-3-2-8-22-12)9-17-13(19)14(20)18-11-6-4-10(16)5-7-11/h2-8,21H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyYDVVMQOWGKWJNL-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.85
Rot. Bonds4

About N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide

N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide (PubChem CID 90499889) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
PubChem CID90499889
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H15FN2O3S/c1-15(21,12-3-2-8-22-12)9-17-13(19)14(20)18-11-6-4-10(16)5-7-11/h2-8,21H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyYDVVMQOWGKWJNL-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.85
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-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499924
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
N'-(3-ethynylphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 111444414
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide (CID 90499889) is N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide is CC(O)(CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The InChIKey is YDVVMQOWGKWJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-15(21,12-3-2-8-22-12)9-17-13(19)14(20)18-11-6-4-10(16)5-7-11/h2-8,21H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide has a molecular weight of 322.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide is sourced from PubChem (CID 90499889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).