4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine

C33H38N2O2S — CID 21183023

IUPAC4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine
SMILESCOc1cc(Cc2c(-c3ccc(CCN4CCCC4)cc3)sc3ccccc23)ccc1CN1CCOCC1
InChIInChI=1S/C33H38N2O2S/c1-36-31-23-26(10-13-28(31)24-35-18-20-37-21-19-35)22-30-29-6-2-3-7-32(29)38-33(30)27-11-8-25(9-12-27)14-17-34-15-4-5-16-34/h2-3,6-13,23H,4-5,14-22,24H2,1H3
InChIKeyAQBVOKRYOVCBBX-UHFFFAOYSA-N
MW526.75 g/mol
LogP6.64
Rot. Bonds9

About 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine

4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine (PubChem CID 21183023) has the molecular formula C33H38N2O2S and a molecular weight of 526.75 g/mol. Its IUPAC name is 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine
PubChem CID21183023
Molecular FormulaC33H38N2O2S
Molecular Weight526.75 g/mol
Exact Mass526.27
IUPAC Name4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine
SMILESCOc1cc(Cc2c(-c3ccc(CCN4CCCC4)cc3)sc3ccccc23)ccc1CN1CCOCC1
InChIInChI=1S/C33H38N2O2S/c1-36-31-23-26(10-13-28(31)24-35-18-20-37-21-19-35)22-30-29-6-2-3-7-32(29)38-33(30)27-11-8-25(9-12-27)14-17-34-15-4-5-16-34/h2-3,6-13,23H,4-5,14-22,24H2,1H3
InChIKeyAQBVOKRYOVCBBX-UHFFFAOYSA-N
XLogP6.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.75
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine
CID 21183011
4-[[4-[6-methoxy-3-[[4-(2-pyrrolidin-1-ylethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]methyl]morpholine
CID 70093799
[1-[2-[4-[3-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenyl]ethyl]pyrrolidin-2-yl]methanol
CID 20666782
4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol
CID 70094550
4-[[4-[[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-2-methylphenyl]methyl]morpholine
CID 21182673
4-[[2-bromo-4-[[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine
CID 21182859
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]ethyl]pyrrolidine
CID 10815576
1-[2-[4-[6-methoxy-3-[[3-methyl-4-(2-pyrrolidin-1-ylethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]ethyl]pyrrolidine
CID 54427499
2-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]acetamide
CID 22462746
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine
CID 1635
[6-hydroxy-2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone;oxalic acid
CID 160791616
3-[[3-hydroxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol
CID 21182692

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine (CID 21183023) is 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine is COc1cc(Cc2c(-c3ccc(CCN4CCCC4)cc3)sc3ccccc23)ccc1CN1CCOCC1.
What is the InChIKey of 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine?
The InChIKey is AQBVOKRYOVCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O2S/c1-36-31-23-26(10-13-28(31)24-35-18-20-37-21-19-35)22-30-29-6-2-3-7-32(29)38-33(30)27-11-8-25(9-12-27)14-17-34-15-4-5-16-34/h2-3,6-13,23H,4-5,14-22,24H2,1H3.
What are the key properties of 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine?
4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine has a molecular weight of 526.75 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]methyl]morpholine is sourced from PubChem (CID 21183023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).