1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone

C25H32N2O5S — CID 143885744

IUPAC1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(CCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H32N2O5S/c28-24(19-21-5-2-1-3-6-21)23-9-8-22(7-4-10-26-11-15-31-16-12-26)25(20-23)33(29,30)27-13-17-32-18-14-27/h1-3,5-6,8-9,20H,4,7,10-19H2
InChIKeyPKYSCWOAXMGJCO-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.40
Rot. Bonds9

About 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone

1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone (PubChem CID 143885744) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone
PubChem CID143885744
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(CCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H32N2O5S/c28-24(19-21-5-2-1-3-6-21)23-9-8-22(7-4-10-26-11-15-31-16-12-26)25(20-23)33(29,30)27-13-17-32-18-14-27/h1-3,5-6,8-9,20H,4,7,10-19H2
InChIKeyPKYSCWOAXMGJCO-UHFFFAOYSA-N
XLogP2.40
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone 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 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone?
The IUPAC name of 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone (CID 143885744) is 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(CCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone?
The InChIKey is PKYSCWOAXMGJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c28-24(19-21-5-2-1-3-6-21)23-9-8-22(7-4-10-26-11-15-31-16-12-26)25(20-23)33(29,30)27-13-17-32-18-14-27/h1-3,5-6,8-9,20H,4,7,10-19H2.
What are the key properties of 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone?
1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone has a molecular weight of 472.61 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylpropyl)-3-morpholin-4-ylsulfonylphenyl]-2-phenylethanone is sourced from PubChem (CID 143885744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).