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

C19H21NO2S — CID 24725410

IUPAC(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1
InChIInChI=1S/C19H21NO2S/c1-22-17-8-6-15(7-9-17)19(21)18-5-3-2-4-16(18)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3
InChIKeyFMEWLPRJZIBLSX-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.47
Rot. Bonds5

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

(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24725410) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24725410
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1
InChIInChI=1S/C19H21NO2S/c1-22-17-8-6-15(7-9-17)19(21)18-5-3-2-4-16(18)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3
InChIKeyFMEWLPRJZIBLSX-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
ethyl 2-[4-(thiomorpholin-4-ylmethyl)benzoyl]benzoate
CID 24724507
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725453
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119455
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1112858

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24725410) is (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone is COc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is FMEWLPRJZIBLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-22-17-8-6-15(7-9-17)19(21)18-5-3-2-4-16(18)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone?
(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 327.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).