(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

C18H18ClNOS — CID 24724527

IUPAC(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H18ClNOS/c19-17-4-2-1-3-16(17)18(21)15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h1-8H,9-13H2
InChIKeyMGNYEHPOYUKQAN-UHFFFAOYSA-N
MW331.87 g/mol
LogP4.12
Rot. Bonds4

About (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724527) has the molecular formula C18H18ClNOS and a molecular weight of 331.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724527
Molecular FormulaC18H18ClNOS
Molecular Weight331.87 g/mol
Exact Mass331.08
IUPAC Name(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H18ClNOS/c19-17-4-2-1-3-16(17)18(21)15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h1-8H,9-13H2
InChIKeyMGNYEHPOYUKQAN-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-[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

(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
ethyl 2-[4-(thiomorpholin-4-ylmethyl)benzoyl]benzoate
CID 24724507
(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724541
(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724523
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724285
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24724527) is (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is MGNYEHPOYUKQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNOS/c19-17-4-2-1-3-16(17)18(21)15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h1-8H,9-13H2.
What are the key properties of (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 331.87 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).