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

C14H19N3O5S — CID 18561534

IUPACN-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19N3O5S/c1-10-3-5-11(6-4-10)23(20,21)17-7-8-22-12(17)9-16-14(19)13(18)15-2/h3-6,12H,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyXZKLVNBJGQXZPC-UHFFFAOYSA-N
MW341.39 g/mol
LogP-0.80
Rot. Bonds4

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

N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 18561534) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID18561534
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19N3O5S/c1-10-3-5-11(6-4-10)23(20,21)17-7-8-22-12(17)9-16-14(19)13(18)15-2/h3-6,12H,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyXZKLVNBJGQXZPC-UHFFFAOYSA-N
XLogP-0.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 18561534) is N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is XZKLVNBJGQXZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-10-3-5-11(6-4-10)23(20,21)17-7-8-22-12(17)9-16-14(19)13(18)15-2/h3-6,12H,7-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 341.39 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 18561534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).