N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

C16H17FN2O3S — CID 56764064

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)cc1F
InChIInChI=1S/C16H17FN2O3S/c1-9-3-4-11(7-12(9)17)19-16(22)15(21)18-8-13(20)14-10(2)5-6-23-14/h3-7,13,20H,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWBVOAILALWBUGU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.29
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 56764064) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
PubChem CID56764064
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)cc1F
InChIInChI=1S/C16H17FN2O3S/c1-9-3-4-11(7-12(9)17)19-16(22)15(21)18-8-13(20)14-10(2)5-6-23-14/h3-7,13,20H,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWBVOAILALWBUGU-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (CID 56764064) is N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is WBVOAILALWBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-9-3-4-11(7-12(9)17)19-16(22)15(21)18-8-13(20)14-10(2)5-6-23-14/h3-7,13,20H,8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 336.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 56764064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).