2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C22H28N2O2S — CID 31443488

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cccc(CSCC(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C22H28N2O2S/c1-18-5-4-6-19(13-18)16-27-17-22(25)23-14-20-7-2-3-8-21(20)15-24-9-11-26-12-10-24/h2-8,13H,9-12,14-17H2,1H3,(H,23,25)
InChIKeyUPHVWMWESWMLOU-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.38
Rot. Bonds8

About 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 31443488) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID31443488
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cccc(CSCC(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C22H28N2O2S/c1-18-5-4-6-19(13-18)16-27-17-22(25)23-14-20-7-2-3-8-21(20)15-24-9-11-26-12-10-24/h2-8,13H,9-12,14-17H2,1H3,(H,23,25)
InChIKeyUPHVWMWESWMLOU-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029720
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446247
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95933084
2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31787549
N-[(2-bromo-5-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55900343
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 31443488) is 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is Cc1cccc(CSCC(=O)NCc2ccccc2CN2CCOCC2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is UPHVWMWESWMLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-18-5-4-6-19(13-18)16-27-17-22(25)23-14-20-7-2-3-8-21(20)15-24-9-11-26-12-10-24/h2-8,13H,9-12,14-17H2,1H3,(H,23,25).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 384.55 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 31443488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).