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

C20H22F2N4O7S2 — CID 18561462

IUPACN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C20H22F2N4O7S2/c21-14-3-6-16(22)17(11-14)35(31,32)26-9-10-33-18(26)12-25-20(28)19(27)24-8-7-13-1-4-15(5-2-13)34(23,29)30/h1-6,11,18H,7-10,12H2,(H,24,27)(H,25,28)(H2,23,29,30)
InChIKeyABIRGMGMEYHEPE-UHFFFAOYSA-N
MW532.55 g/mol
LogP-0.57
Rot. Bonds8

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

N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 18561462) has the molecular formula C20H22F2N4O7S2 and a molecular weight of 532.55 g/mol. Its IUPAC name is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID18561462
Molecular FormulaC20H22F2N4O7S2
Molecular Weight532.55 g/mol
Exact Mass532.09
IUPAC NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C20H22F2N4O7S2/c21-14-3-6-16(22)17(11-14)35(31,32)26-9-10-33-18(26)12-25-20(28)19(27)24-8-7-13-1-4-15(5-2-13)34(23,29)30/h1-6,11,18H,7-10,12H2,(H,24,27)(H,25,28)(H2,23,29,30)
InChIKeyABIRGMGMEYHEPE-UHFFFAOYSA-N
XLogP-0.57
TPSA164.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.55
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
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CID 2411489
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
N-(3-methoxypropyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 3772133
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 4341568
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4850617
((2-{2-[2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethoxy]-ethoxy}-ethyl)-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid
CID 11061783
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((4-fluoro-2-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005843
N-{[3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl}-N'-(2-phenylethyl)ethanediamide
CID 16194546
N'-[[3-(4-methylphenyl)sulfonyl-2-oxazolidinyl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 16194606
N1-phenethyl-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16194997
N1-(3-morpholinopropyl)-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16807599

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 18561462) is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(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-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is ABIRGMGMEYHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O7S2/c21-14-3-6-16(22)17(11-14)35(31,32)26-9-10-33-18(26)12-25-20(28)19(27)24-8-7-13-1-4-15(5-2-13)34(23,29)30/h1-6,11,18H,7-10,12H2,(H,24,27)(H,25,28)(H2,23,29,30).
What are the key properties of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 532.55 g/mol, XLogP of -0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 18561462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).