1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C22H27NO4S — CID 129155311

IUPAC1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Sc2ccc(OCCO)cc2)cc1)N1CCOCC1
InChIInChI=1S/C22H27NO4S/c1-22(2,23-11-14-26-15-12-23)21(25)17-3-7-19(8-4-17)28-20-9-5-18(6-10-20)27-16-13-24/h3-10,24H,11-16H2,1-2H3
InChIKeyFBXDOARJEITXFL-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.50
Rot. Bonds8

About 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 129155311) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID129155311
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Sc2ccc(OCCO)cc2)cc1)N1CCOCC1
InChIInChI=1S/C22H27NO4S/c1-22(2,23-11-14-26-15-12-23)21(25)17-3-7-19(8-4-17)28-20-9-5-18(6-10-20)27-16-13-24/h3-10,24H,11-16H2,1-2H3
InChIKeyFBXDOARJEITXFL-UHFFFAOYSA-N
XLogP3.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 129155328
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
2,2-diethoxy-1-phenylethanone;2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 159791694
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine
CID 161445896
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
CID 18728748
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
CID 165164955
1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867028

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 129155311) is 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(Sc2ccc(OCCO)cc2)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is FBXDOARJEITXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-22(2,23-11-14-26-15-12-23)21(25)17-3-7-19(8-4-17)28-20-9-5-18(6-10-20)27-16-13-24/h3-10,24H,11-16H2,1-2H3.
What are the key properties of 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 401.53 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 129155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).