(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

C20H23NOS — CID 24724523

IUPAC(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCc1cc(C)cc(C(=O)c2ccc(CN3CCSCC3)cc2)c1
InChIInChI=1S/C20H23NOS/c1-15-11-16(2)13-19(12-15)20(22)18-5-3-17(4-6-18)14-21-7-9-23-10-8-21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyCHZDACCGCXFEJZ-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.08
Rot. Bonds4

About (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724523) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724523
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCc1cc(C)cc(C(=O)c2ccc(CN3CCSCC3)cc2)c1
InChIInChI=1S/C20H23NOS/c1-15-11-16(2)13-19(12-15)20(22)18-5-3-17(4-6-18)14-21-7-9-23-10-8-21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyCHZDACCGCXFEJZ-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]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-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724955
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724541
ethyl 2-[4-(thiomorpholin-4-ylmethyl)benzoyl]benzoate
CID 24724507
methyl 4-(1,4-thiazepan-4-ylmethyl)benzoate
CID 61419246
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CID 54970521
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24724523) is (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone is Cc1cc(C)cc(C(=O)c2ccc(CN3CCSCC3)cc2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is CHZDACCGCXFEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-15-11-16(2)13-19(12-15)20(22)18-5-3-17(4-6-18)14-21-7-9-23-10-8-21/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 325.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).