3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine

C25H23NOS — CID 174671396

IUPAC3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine
SMILESCN1CC(OCc2cc3ccccc3s2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NOS/c1-26-17-24(27-18-22-16-19-10-8-9-15-23(19)28-22)25(26,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-16,24H,17-18H2,1H3
InChIKeyXXONRDUSAYTWIF-UHFFFAOYSA-N
MW385.53 g/mol
LogP5.68
Rot. Bonds5

About 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine

3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine (PubChem CID 174671396) has the molecular formula C25H23NOS and a molecular weight of 385.53 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine
PubChem CID174671396
Molecular FormulaC25H23NOS
Molecular Weight385.53 g/mol
Exact Mass385.15
IUPAC Name3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine
SMILESCN1CC(OCc2cc3ccccc3s2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NOS/c1-26-17-24(27-18-22-16-19-10-8-9-15-23(19)28-22)25(26,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-16,24H,17-18H2,1H3
InChIKeyXXONRDUSAYTWIF-UHFFFAOYSA-N
XLogP5.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine?
The IUPAC name of 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine (CID 174671396) is 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine.
What is the SMILES notation for 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine?
The canonical SMILES for 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine is CN1CC(OCc2cc3ccccc3s2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine?
The InChIKey is XXONRDUSAYTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NOS/c1-26-17-24(27-18-22-16-19-10-8-9-15-23(19)28-22)25(26,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-16,24H,17-18H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine?
3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine has a molecular weight of 385.53 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-ylmethoxy)-1-methyl-2,2-diphenylazetidine is sourced from PubChem (CID 174671396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).