4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine

C24H24Cl2N2O2S — CID 71362177

IUPAC4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine
SMILESClc1ccc(-c2c(N3CCOCC3)sc(N3CCOCC3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24Cl2N2O2S/c25-19-5-1-17(2-6-19)21-22(18-3-7-20(26)8-4-18)24(28-11-15-30-16-12-28)31-23(21)27-9-13-29-14-10-27/h1-8H,9-16H2
InChIKeyDKGMRGYVTIAPTE-UHFFFAOYSA-N
MW475.44 g/mol
LogP6.06
Rot. Bonds4

About 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine

4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine (PubChem CID 71362177) has the molecular formula C24H24Cl2N2O2S and a molecular weight of 475.44 g/mol. Its IUPAC name is 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine
PubChem CID71362177
Molecular FormulaC24H24Cl2N2O2S
Molecular Weight475.44 g/mol
Exact Mass474.09
IUPAC Name4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine
SMILESClc1ccc(-c2c(N3CCOCC3)sc(N3CCOCC3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24Cl2N2O2S/c25-19-5-1-17(2-6-19)21-22(18-3-7-20(26)8-4-18)24(28-11-15-30-16-12-28)31-23(21)27-9-13-29-14-10-27/h1-8H,9-16H2
InChIKeyDKGMRGYVTIAPTE-UHFFFAOYSA-N
XLogP6.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine?
The IUPAC name of 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine (CID 71362177) is 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine.
What is the SMILES notation for 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine?
The canonical SMILES for 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine is Clc1ccc(-c2c(N3CCOCC3)sc(N3CCOCC3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine?
The InChIKey is DKGMRGYVTIAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2S/c25-19-5-1-17(2-6-19)21-22(18-3-7-20(26)8-4-18)24(28-11-15-30-16-12-28)31-23(21)27-9-13-29-14-10-27/h1-8H,9-16H2.
What are the key properties of 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine?
4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine has a molecular weight of 475.44 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(4-chlorophenyl)-5-morpholin-4-ylthiophen-2-yl]morpholine is sourced from PubChem (CID 71362177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).