2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine

C21H27NO3S — CID 110364078

IUPAC2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)CCCc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H27NO3S/c1-2-18-10-12-20(13-11-18)21-17-22(14-15-25-21)26(23,24)16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,2,6,9,14-17H2,1H3
InChIKeyHDJLJNNMFVIZKX-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.58
Rot. Bonds7

About 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine

2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine (PubChem CID 110364078) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
PubChem CID110364078
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)CCCc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H27NO3S/c1-2-18-10-12-20(13-11-18)21-17-22(14-15-25-21)26(23,24)16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,2,6,9,14-17H2,1H3
InChIKeyHDJLJNNMFVIZKX-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)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

2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The IUPAC name of 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine (CID 110364078) is 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine.
What is the SMILES notation for 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The canonical SMILES for 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine is CCc1ccc(C2CN(S(=O)(=O)CCCc3ccccc3)CCO2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The InChIKey is HDJLJNNMFVIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-2-18-10-12-20(13-11-18)21-17-22(14-15-25-21)26(23,24)16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,2,6,9,14-17H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine has a molecular weight of 373.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine is sourced from PubChem (CID 110364078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).