N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

C15H15FN2O3S — CID 90496902

IUPACN'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccsc1C(O)CNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H15FN2O3S/c1-9-5-6-22-13(9)12(19)8-17-14(20)15(21)18-11-4-2-3-10(16)7-11/h2-7,12,19H,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyPGEXQPQOGIFXML-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.98
Rot. Bonds4

About N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 90496902) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
PubChem CID90496902
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccsc1C(O)CNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H15FN2O3S/c1-9-5-6-22-13(9)12(19)8-17-14(20)15(21)18-11-4-2-3-10(16)7-11/h2-7,12,19H,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyPGEXQPQOGIFXML-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
CID 167915427
N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496929
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496945
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (CID 90496902) is N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is Cc1ccsc1C(O)CNC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is PGEXQPQOGIFXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-9-5-6-22-13(9)12(19)8-17-14(20)15(21)18-11-4-2-3-10(16)7-11/h2-7,12,19H,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 322.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 90496902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).