2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C21H26N2O2S — CID 55971149

IUPAC2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCSc1ccc(C)c(C(=O)NCc2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O2S/c1-16-6-7-19(26-2)13-20(16)21(24)22-14-17-4-3-5-18(12-17)15-23-8-10-25-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,24)
InChIKeyDMNIMPAUFHFXBG-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.48
Rot. Bonds6

About 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55971149) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID55971149
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCSc1ccc(C)c(C(=O)NCc2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O2S/c1-16-6-7-19(26-2)13-20(16)21(24)22-14-17-4-3-5-18(12-17)15-23-8-10-25-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,24)
InChIKeyDMNIMPAUFHFXBG-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005
2-(4-methylphenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190400
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
CID 91653338
2,4-dichloro-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571030
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 60557369
2-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-methylsulfanylbenzamide
CID 55749295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 55971149) is 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is CSc1ccc(C)c(C(=O)NCc2cccc(CN3CCOCC3)c2)c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is DMNIMPAUFHFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16-6-7-19(26-2)13-20(16)21(24)22-14-17-4-3-5-18(12-17)15-23-8-10-25-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 370.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55971149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).