4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

C18H20N2O6S — CID 16922728

IUPAC4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CN(c3cccc(OC)c3)C(=O)O2)cc1
InChIInChI=1S/C18H20N2O6S/c1-24-14-6-8-17(9-7-14)27(22,23)19-11-16-12-20(18(21)26-16)13-4-3-5-15(10-13)25-2/h3-10,16,19H,11-12H2,1-2H3
InChIKeyKRCUOIGFGVEGNE-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.01
Rot. Bonds7

About 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 16922728) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID16922728
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CN(c3cccc(OC)c3)C(=O)O2)cc1
InChIInChI=1S/C18H20N2O6S/c1-24-14-6-8-17(9-7-14)27(22,23)19-11-16-12-20(18(21)26-16)13-4-3-5-15(10-13)25-2/h3-10,16,19H,11-12H2,1-2H3
InChIKeyKRCUOIGFGVEGNE-UHFFFAOYSA-N
XLogP2.01
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
4-ethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 110327854
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 40839214
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110327938
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
6-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyridine-3-sulfonamide
CID 110310960

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 16922728) is 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CN(c3cccc(OC)c3)C(=O)O2)cc1.
What is the InChIKey of 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is KRCUOIGFGVEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-14-6-8-17(9-7-14)27(22,23)19-11-16-12-20(18(21)26-16)13-4-3-5-15(10-13)25-2/h3-10,16,19H,11-12H2,1-2H3.
What are the key properties of 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 392.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16922728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).