2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one

C22H25NO2S — CID 18755073

IUPAC2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
SMILESC=C(Sc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H25NO2S/c1-17(18-7-5-4-6-8-18)26-20-11-9-19(10-12-20)21(24)22(2,3)23-13-15-25-16-14-23/h4-12H,1,13-16H2,2-3H3
InChIKeyFXSIHBCFJZHFKM-UHFFFAOYSA-N
MW367.51 g/mol
LogP4.74
Rot. Bonds6

About 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one

2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one (PubChem CID 18755073) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
PubChem CID18755073
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC Name2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
SMILESC=C(Sc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H25NO2S/c1-17(18-7-5-4-6-8-18)26-20-11-9-19(10-12-20)21(24)22(2,3)23-13-15-25-16-14-23/h4-12H,1,13-16H2,2-3H3
InChIKeyFXSIHBCFJZHFKM-UHFFFAOYSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
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
2-[3-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid
CID 18755071
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylbutanedioic acid
CID 144999377
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylethyl 2-methylprop-2-enoate
CID 23325645
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
2,2-dimethoxy-1,2-diphenylethanone;(1-hydroxycyclohexyl)-phenylmethanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 159727407
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one (CID 18755073) is 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one is C=C(Sc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one?
The InChIKey is FXSIHBCFJZHFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-17(18-7-5-4-6-8-18)26-20-11-9-19(10-12-20)21(24)22(2,3)23-13-15-25-16-14-23/h4-12H,1,13-16H2,2-3H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one?
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one has a molecular weight of 367.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one is sourced from PubChem (CID 18755073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).