4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine

C26H30N2O2S — CID 634828

IUPAC4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
SMILESCc1ccc(-c2sc(N3CCOCC3)c(-c3ccc(C)cc3)c2N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O2S/c1-19-3-7-21(8-4-19)23-24(27-11-15-29-16-12-27)25(22-9-5-20(2)6-10-22)31-26(23)28-13-17-30-18-14-28/h3-10H,11-18H2,1-2H3
InChIKeyDUEAWYBLAPCZKC-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.37
Rot. Bonds4

About 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine

4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine (PubChem CID 634828) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine.

Molecular Properties

Compound Name4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
PubChem CID634828
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC Name4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
SMILESCc1ccc(-c2sc(N3CCOCC3)c(-c3ccc(C)cc3)c2N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O2S/c1-19-3-7-21(8-4-19)23-24(27-11-15-29-16-12-27)25(22-9-5-20(2)6-10-22)31-26(23)28-13-17-30-18-14-28/h3-10H,11-18H2,1-2H3
InChIKeyDUEAWYBLAPCZKC-UHFFFAOYSA-N
XLogP5.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
The IUPAC name of 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine (CID 634828) is 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine.
What is the SMILES notation for 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
The canonical SMILES for 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine is Cc1ccc(-c2sc(N3CCOCC3)c(-c3ccc(C)cc3)c2N2CCOCC2)cc1.
What is the InChIKey of 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
The InChIKey is DUEAWYBLAPCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-19-3-7-21(8-4-19)23-24(27-11-15-29-16-12-27)25(22-9-5-20(2)6-10-22)31-26(23)28-13-17-30-18-14-28/h3-10H,11-18H2,1-2H3.
What are the key properties of 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine?
4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine has a molecular weight of 434.61 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(4-methylphenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine is sourced from PubChem (CID 634828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).