methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate

C23H28N2O9S2 — CID 3282110

IUPACmethyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)N2CCC(N3CC(COc4ccc(OC)cc4)OC3=O)CC2)c1OC
InChIInChI=1S/C23H28N2O9S2/c1-30-16-4-6-17(7-5-16)33-13-18-12-25(23(27)34-18)15-8-10-24(11-9-15)36(28,29)22-20(31-2)19(14-35-22)21(26)32-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyDHRRRFPTORGYEZ-UHFFFAOYSA-N
MW540.62 g/mol
LogP2.60
Rot. Bonds9

About methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate

methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate (PubChem CID 3282110) has the molecular formula C23H28N2O9S2 and a molecular weight of 540.62 g/mol. Its IUPAC name is methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate
PubChem CID3282110
Molecular FormulaC23H28N2O9S2
Molecular Weight540.62 g/mol
Exact Mass540.12
IUPAC Namemethyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)N2CCC(N3CC(COc4ccc(OC)cc4)OC3=O)CC2)c1OC
InChIInChI=1S/C23H28N2O9S2/c1-30-16-4-6-17(7-5-16)33-13-18-12-25(23(27)34-18)15-8-10-24(11-9-15)36(28,29)22-20(31-2)19(14-35-22)21(26)32-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyDHRRRFPTORGYEZ-UHFFFAOYSA-N
XLogP2.60
TPSA120.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate?
The IUPAC name of methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate (CID 3282110) is methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate is COC(=O)c1csc(S(=O)(=O)N2CCC(N3CC(COc4ccc(OC)cc4)OC3=O)CC2)c1OC.
What is the InChIKey of methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate?
The InChIKey is DHRRRFPTORGYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O9S2/c1-30-16-4-6-17(7-5-16)33-13-18-12-25(23(27)34-18)15-8-10-24(11-9-15)36(28,29)22-20(31-2)19(14-35-22)21(26)32-3/h4-7,14-15,18H,8-13H2,1-3H3.
What are the key properties of methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate?
methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate has a molecular weight of 540.62 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate is sourced from PubChem (CID 3282110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).