(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone

C19H21NO2S — CID 174981779

IUPAC(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cccc(C3CNCCO3)c2C)cc1
InChIInChI=1S/C19H21NO2S/c1-13-16(18-12-20-10-11-22-18)4-3-5-17(13)19(21)14-6-8-15(23-2)9-7-14/h3-9,18,20H,10-12H2,1-2H3
InChIKeyOOLKAOVPLHOBQS-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.61
Rot. Bonds4

About (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone

(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 174981779) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID174981779
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cccc(C3CNCCO3)c2C)cc1
InChIInChI=1S/C19H21NO2S/c1-13-16(18-12-20-10-11-22-18)4-3-5-17(13)19(21)14-6-8-15(23-2)9-7-14/h3-9,18,20H,10-12H2,1-2H3
InChIKeyOOLKAOVPLHOBQS-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone
CID 175555988
1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one
CID 174632021
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
2-[2,3-bis(methylsulfanyl)phenyl]morpholine
CID 117391940
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871
3-morpholin-2-yl-2-nitrobenzoic acid
CID 174973424
3-morpholin-2-yl-2-nitrosophenol
CID 174751640
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 114973538
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
3-methyl-4-morpholin-2-ylphenol
CID 67032452
2-fluoro-N,N-dimethyl-6-morpholin-2-ylaniline
CID 115111854

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone (CID 174981779) is (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2cccc(C3CNCCO3)c2C)cc1.
What is the InChIKey of (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is OOLKAOVPLHOBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13-16(18-12-20-10-11-22-18)4-3-5-17(13)19(21)14-6-8-15(23-2)9-7-14/h3-9,18,20H,10-12H2,1-2H3.
What are the key properties of (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone?
(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 327.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 174981779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).