[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone

C20H24N2O2S — CID 110673004

IUPAC[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cccc(N(C)C)c3)CCS2)cc1
InChIInChI=1S/C20H24N2O2S/c1-21(2)17-6-4-5-16(13-17)20(23)22-11-12-25-19(14-22)15-7-9-18(24-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyGJZSVODEVJMKFR-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.69
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone

[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone (PubChem CID 110673004) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
PubChem CID110673004
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cccc(N(C)C)c3)CCS2)cc1
InChIInChI=1S/C20H24N2O2S/c1-21(2)17-6-4-5-16(13-17)20(23)22-11-12-25-19(14-22)15-7-9-18(24-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyGJZSVODEVJMKFR-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone 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

[3-(dimethylamino)phenyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168601
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 156606417
cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
CID 110673048
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone (CID 110673004) is [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone is COc1ccc(C2CN(C(=O)c3cccc(N(C)C)c3)CCS2)cc1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
The InChIKey is GJZSVODEVJMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21(2)17-6-4-5-16(13-17)20(23)22-11-12-25-19(14-22)15-7-9-18(24-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone?
[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 110673004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).