N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide

C15H15FN2O3S — CID 52992646

IUPACN-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C15H15FN2O3S/c16-12-3-1-10(2-4-12)7-17-14(20)15(21)18-8-13(19)11-5-6-22-9-11/h1-6,9,13,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyWAJHYRRPPLMUGZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.35
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide

N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide (PubChem CID 52992646) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
PubChem CID52992646
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C15H15FN2O3S/c16-12-3-1-10(2-4-12)7-17-14(20)15(21)18-8-13(19)11-5-6-22-9-11/h1-6,9,13,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyWAJHYRRPPLMUGZ-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide (CID 52992646) is N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The InChIKey is WAJHYRRPPLMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-12-3-1-10(2-4-12)7-17-14(20)15(21)18-8-13(19)11-5-6-22-9-11/h1-6,9,13,19H,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-thiophen-3-ylethyl)oxamide has a molecular weight of 322.36 g/mol, XLogP of 1.35, 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-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 52992646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).