N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide

C20H22FN3O6S — CID 18561382

IUPACN-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN3O6S/c1-29-16-6-2-14(3-7-16)12-22-19(25)20(26)23-13-18-24(10-11-30-18)31(27,28)17-8-4-15(21)5-9-17/h2-9,18H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVCFXKVZULKRRB-UHFFFAOYSA-N
MW451.48 g/mol
LogP0.61
Rot. Bonds7

About N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide

N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 18561382) has the molecular formula C20H22FN3O6S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
PubChem CID18561382
Molecular FormulaC20H22FN3O6S
Molecular Weight451.48 g/mol
Exact Mass451.12
IUPAC NameN-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN3O6S/c1-29-16-6-2-14(3-7-16)12-22-19(25)20(26)23-13-18-24(10-11-30-18)31(27,28)17-8-4-15(21)5-9-17/h2-9,18H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVCFXKVZULKRRB-UHFFFAOYSA-N
XLogP0.61
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]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-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide (CID 18561382) is N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is YVCFXKVZULKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O6S/c1-29-16-6-2-14(3-7-16)12-22-19(25)20(26)23-13-18-24(10-11-30-18)31(27,28)17-8-4-15(21)5-9-17/h2-9,18H,10-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 451.48 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 18561382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).