4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine

C22H24N2O2S — CID 11383440

IUPAC4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine
SMILESCOc1c(C)cnc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1C
InChIInChI=1S/C22H24N2O2S/c1-15-14-23-20(16(2)21(15)25-3)19-13-18(17-7-5-4-6-8-17)22(27-19)24-9-11-26-12-10-24/h4-8,13-14H,9-12H2,1-3H3
InChIKeyPRRREALZWLRGFC-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.94
Rot. Bonds4

About 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine

4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine (PubChem CID 11383440) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine
PubChem CID11383440
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine
SMILESCOc1c(C)cnc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1C
InChIInChI=1S/C22H24N2O2S/c1-15-14-23-20(16(2)21(15)25-3)19-13-18(17-7-5-4-6-8-17)22(27-19)24-9-11-26-12-10-24/h4-8,13-14H,9-12H2,1-3H3
InChIKeyPRRREALZWLRGFC-UHFFFAOYSA-N
XLogP4.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine?
The IUPAC name of 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine (CID 11383440) is 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine is COc1c(C)cnc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1C.
What is the InChIKey of 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine?
The InChIKey is PRRREALZWLRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-14-23-20(16(2)21(15)25-3)19-13-18(17-7-5-4-6-8-17)22(27-19)24-9-11-26-12-10-24/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine?
4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine has a molecular weight of 380.51 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine is sourced from PubChem (CID 11383440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).