2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone

C20H23NO2S — CID 134065103

IUPAC2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(SCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c22-19(17-7-3-1-4-8-17)20(18-9-5-2-6-10-18)24-16-13-21-11-14-23-15-12-21/h1-10,20H,11-16H2
InChIKeyBXHNBDYKNNPDPG-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.68
Rot. Bonds7

About 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone

2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone (PubChem CID 134065103) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone
PubChem CID134065103
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(SCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c22-19(17-7-3-1-4-8-17)20(18-9-5-2-6-10-18)24-16-13-21-11-14-23-15-12-21/h1-10,20H,11-16H2
InChIKeyBXHNBDYKNNPDPG-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
CID 6603036
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
4-[2-[(4-hexylsulfanylphenyl)-phenylmethyl]sulfanylethyl]morpholine
CID 154362677
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone?
The IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone (CID 134065103) is 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone?
The canonical SMILES for 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone is O=C(c1ccccc1)C(SCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone?
The InChIKey is BXHNBDYKNNPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-19(17-7-3-1-4-8-17)20(18-9-5-2-6-10-18)24-16-13-21-11-14-23-15-12-21/h1-10,20H,11-16H2.
What are the key properties of 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone?
2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone has a molecular weight of 341.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone is sourced from PubChem (CID 134065103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).