N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

C21H23F2N3O6S — CID 18561465

IUPACN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C21H23F2N3O6S/c1-31-16-5-2-14(3-6-16)8-9-24-20(27)21(28)25-13-19-26(10-11-32-19)33(29,30)18-12-15(22)4-7-17(18)23/h2-7,12,19H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyNVHZUAOPPVRGMM-UHFFFAOYSA-N
MW483.49 g/mol
LogP0.80
Rot. Bonds8

About N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 18561465) has the molecular formula C21H23F2N3O6S and a molecular weight of 483.49 g/mol. Its IUPAC name is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID18561465
Molecular FormulaC21H23F2N3O6S
Molecular Weight483.49 g/mol
Exact Mass483.13
IUPAC NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C21H23F2N3O6S/c1-31-16-5-2-14(3-6-16)8-9-24-20(27)21(28)25-13-19-26(10-11-32-19)33(29,30)18-12-15(22)4-7-17(18)23/h2-7,12,19H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyNVHZUAOPPVRGMM-UHFFFAOYSA-N
XLogP0.80
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 18561465) is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is NVHZUAOPPVRGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O6S/c1-31-16-5-2-14(3-6-16)8-9-24-20(27)21(28)25-13-19-26(10-11-32-19)33(29,30)18-12-15(22)4-7-17(18)23/h2-7,12,19H,8-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 483.49 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 18561465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).