N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

C16H17FN2O3S — CID 56764063

IUPACN-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccsc1C(O)CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S/c1-10-6-7-23-14(10)13(20)9-19-16(22)15(21)18-8-11-2-4-12(17)5-3-11/h2-7,13,20H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyUMXHEARIMRGOLU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.66
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 56764063) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
PubChem CID56764063
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccsc1C(O)CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S/c1-10-6-7-23-14(10)13(20)9-19-16(22)15(21)18-8-11-2-4-12(17)5-3-11/h2-7,13,20H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyUMXHEARIMRGOLU-UHFFFAOYSA-N
XLogP1.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.66
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-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (CID 56764063) is N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is Cc1ccsc1C(O)CNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is UMXHEARIMRGOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10-6-7-23-14(10)13(20)9-19-16(22)15(21)18-8-11-2-4-12(17)5-3-11/h2-7,13,20H,8-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 336.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 56764063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).