2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone

C20H22ClNO3S — CID 54346289

IUPAC2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone
SMILESCC(c1ccc(-c2ccccc2Cl)cc1)S(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C20H22ClNO3S/c1-15(26(24)14-20(23)22-10-12-25-13-11-22)16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-9,15H,10-14H2,1H3
InChIKeyUCNKGWPHKKMDEE-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone

2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone (PubChem CID 54346289) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone
PubChem CID54346289
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone
SMILESCC(c1ccc(-c2ccccc2Cl)cc1)S(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C20H22ClNO3S/c1-15(26(24)14-20(23)22-10-12-25-13-11-22)16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-9,15H,10-14H2,1H3
InChIKeyUCNKGWPHKKMDEE-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone (CID 54346289) is 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone is CC(c1ccc(-c2ccccc2Cl)cc1)S(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone?
The InChIKey is UCNKGWPHKKMDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c1-15(26(24)14-20(23)22-10-12-25-13-11-22)16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-9,15H,10-14H2,1H3.
What are the key properties of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone?
2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone has a molecular weight of 391.92 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfinyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 54346289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).