N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

C16H17FN2O3S — CID 90598559

IUPACN'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cccc(F)c1)c1ccc(C)s1
InChIInChI=1S/C16H17FN2O3S/c1-10-6-7-14(23-10)13(22-2)9-18-15(20)16(21)19-12-5-3-4-11(17)8-12/h3-8,13H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFGHITBMNWNCUTN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.64
Rot. Bonds5

About N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 90598559) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
PubChem CID90598559
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cccc(F)c1)c1ccc(C)s1
InChIInChI=1S/C16H17FN2O3S/c1-10-6-7-14(23-10)13(22-2)9-18-15(20)16(21)19-12-5-3-4-11(17)8-12/h3-8,13H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFGHITBMNWNCUTN-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 97417586
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 90598595
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598587
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97417390
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (CID 90598559) is N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is COC(CNC(=O)C(=O)Nc1cccc(F)c1)c1ccc(C)s1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is FGHITBMNWNCUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10-6-7-14(23-10)13(22-2)9-18-15(20)16(21)19-12-5-3-4-11(17)8-12/h3-8,13H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 336.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 90598559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).