2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one

C20H23NO2S — CID 19879538

IUPAC2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
SMILESCC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C20H23NO2S/c1-20(2,21-12-14-23-15-13-21)19(22)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyXLJRUFAMEBYVJS-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one

2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one (PubChem CID 19879538) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
PubChem CID19879538
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
SMILESCC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C20H23NO2S/c1-20(2,21-12-14-23-15-13-21)19(22)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyXLJRUFAMEBYVJS-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one 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-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
CID 165164955
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
[(Z)-[2-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-2-oxo-1-thiophen-2-ylethylidene]amino] acetate
CID 162463792
2-[3-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid
CID 18755071
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
CID 58085412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one (CID 19879538) is 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one is CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one?
The InChIKey is XLJRUFAMEBYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-20(2,21-12-14-23-15-13-21)19(22)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one?
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one has a molecular weight of 341.48 g/mol, XLogP of 4.13, 5 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-phenylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 19879538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).