methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate

C17H16N2O7S2 — CID 100707442

IUPACmethyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C17H16N2O7S2/c1-25-16(21)15-13(7-8-27-15)28(23,24)18-12(11-5-3-2-4-6-11)9-19-14(20)10-26-17(19)22/h2-8,12,18H,9-10H2,1H3/t12-/m0/s1
InChIKeyZNDMHATUFAMCKG-LBPRGKRZSA-N
MW424.46 g/mol
LogP1.53
Rot. Bonds7

About methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 100707442) has the molecular formula C17H16N2O7S2 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID100707442
Molecular FormulaC17H16N2O7S2
Molecular Weight424.46 g/mol
Exact Mass424.04
IUPAC Namemethyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C17H16N2O7S2/c1-25-16(21)15-13(7-8-27-15)28(23,24)18-12(11-5-3-2-4-6-11)9-19-14(20)10-26-17(19)22/h2-8,12,18H,9-10H2,1H3/t12-/m0/s1
InChIKeyZNDMHATUFAMCKG-LBPRGKRZSA-N
XLogP1.53
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate (CID 100707442) is methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1.
What is the InChIKey of methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZNDMHATUFAMCKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O7S2/c1-25-16(21)15-13(7-8-27-15)28(23,24)18-12(11-5-3-2-4-6-11)9-19-14(20)10-26-17(19)22/h2-8,12,18H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 100707442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).