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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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-[[2-methoxyethyl(methyl)amino]methyl]-N,3-dimethyl-5-(4-methylphenyl)thiophen-2-amine
CID 20692008
4-Amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
CID 11076984
4-(3,4-Diphenylthiophen-2-yl)morpholine
CID 2328395
Morpholine, 4,4'-(3,5-diphenyl-2,4-thiophenediyl)bis-
CID 10927641
4-[2,4-Bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
CID 135027861
4-[2,4-Bis(4-bromophenyl)-5-morpholin-4-ylthiophen-3-yl]morpholine
CID 135027862
4-[4-Morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine
CID 135027864
4-(4-Morpholin-4-yl-3,5-dinaphthalen-2-ylthiophen-2-yl)morpholine
CID 135027865
4-[4-[Difluoro(naphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 157334711
4-[4-[(6-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 158578116
4-[4-[(4-Fluoronaphthalen-2-yl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160016260
4-[4-[(4-Fluorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160133842

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).