N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide

C15H19FN2O3S — CID 97414770

IUPACN-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide
SMILESCO[C@@]1(CNC(=O)C(=O)NCc2ccc(F)cc2)CCSC1
InChIInChI=1S/C15H19FN2O3S/c1-21-15(6-7-22-10-15)9-18-14(20)13(19)17-8-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyYBIUMHMAMNPDNE-OAHLLOKOSA-N
MW326.39 g/mol
LogP1.08
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide (PubChem CID 97414770) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide
PubChem CID97414770
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide
SMILESCO[C@@]1(CNC(=O)C(=O)NCc2ccc(F)cc2)CCSC1
InChIInChI=1S/C15H19FN2O3S/c1-21-15(6-7-22-10-15)9-18-14(20)13(19)17-8-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyYBIUMHMAMNPDNE-OAHLLOKOSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
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'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide (CID 97414770) is N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide is CO[C@@]1(CNC(=O)C(=O)NCc2ccc(F)cc2)CCSC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide?
The InChIKey is YBIUMHMAMNPDNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-21-15(6-7-22-10-15)9-18-14(20)13(19)17-8-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H,17,19)(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide has a molecular weight of 326.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[[(3R)-3-methoxythiolan-3-yl]methyl]oxamide is sourced from PubChem (CID 97414770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).