4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine

C24H26N2O2S — CID 10927641

IUPAC4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine
SMILESc1ccc(-c2sc(N3CCOCC3)c(-c3ccccc3)c2N2CCOCC2)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-7-19(8-4-1)21-22(25-11-15-27-16-12-25)23(20-9-5-2-6-10-20)29-24(21)26-13-17-28-18-14-26/h1-10H,11-18H2
InChIKeyHKVRBBUMKDJIGE-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine

4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine (PubChem CID 10927641) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine
PubChem CID10927641
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine
SMILESc1ccc(-c2sc(N3CCOCC3)c(-c3ccccc3)c2N2CCOCC2)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-7-19(8-4-1)21-22(25-11-15-27-16-12-25)23(20-9-5-2-6-10-20)29-24(21)26-13-17-28-18-14-26/h1-10H,11-18H2
InChIKeyHKVRBBUMKDJIGE-UHFFFAOYSA-N
XLogP4.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine?
The IUPAC name of 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine (CID 10927641) is 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine.
What is the SMILES notation for 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine?
The canonical SMILES for 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine is c1ccc(-c2sc(N3CCOCC3)c(-c3ccccc3)c2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine?
The InChIKey is HKVRBBUMKDJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-3-7-19(8-4-1)21-22(25-11-15-27-16-12-25)23(20-9-5-2-6-10-20)29-24(21)26-13-17-28-18-14-26/h1-10H,11-18H2.
What are the key properties of 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine?
4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine has a molecular weight of 406.55 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-3,5-diphenylthiophen-2-yl)morpholine is sourced from PubChem (CID 10927641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).