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

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

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Related Compounds

methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate
CID 3820610
5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3751432
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4686280
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 3864755
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 23959993
3-[1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 3687515
5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 135403256
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3866913
2-amino-2-butylsulfonyl-3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
CID 67618953
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 5006435
methane;methyl 5-[2-[(cyclooctanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-4-methoxythiophene-3-carboxylate
CID 173136699
methyl 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 47091704

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).