5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide

C19H19N3O7S — CID 91630103

IUPAC5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(CN2C(=O)COC2=O)c2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H19N3O7S/c1-28-16-8-7-13(9-14(16)18(20)24)30(26,27)21-15(12-5-3-2-4-6-12)10-22-17(23)11-29-19(22)25/h2-9,15,21H,10-11H2,1H3,(H2,20,24)
InChIKeyKMJQEXMHKKWFTB-UHFFFAOYSA-N
MW433.44 g/mol
LogP0.79
Rot. Bonds8

About 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide

5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 91630103) has the molecular formula C19H19N3O7S and a molecular weight of 433.44 g/mol. Its IUPAC name is 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide
PubChem CID91630103
Molecular FormulaC19H19N3O7S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC Name5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(CN2C(=O)COC2=O)c2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H19N3O7S/c1-28-16-8-7-13(9-14(16)18(20)24)30(26,27)21-15(12-5-3-2-4-6-12)10-22-17(23)11-29-19(22)25/h2-9,15,21H,10-11H2,1H3,(H2,20,24)
InChIKeyKMJQEXMHKKWFTB-UHFFFAOYSA-N
XLogP0.79
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide (CID 91630103) is 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC(CN2C(=O)COC2=O)c2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is KMJQEXMHKKWFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7S/c1-28-16-8-7-13(9-14(16)18(20)24)30(26,27)21-15(12-5-3-2-4-6-12)10-22-17(23)11-29-19(22)25/h2-9,15,21H,10-11H2,1H3,(H2,20,24).
What are the key properties of 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide?
5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 433.44 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 91630103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).