N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C20H25N3O2S — CID 47029720

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H25N3O2S/c24-20(16-26-15-17-4-3-7-21-12-17)22-13-18-5-1-2-6-19(18)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-16H2,(H,22,24)
InChIKeyMCGRXAMFDYLFOM-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.46
Rot. Bonds8

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 47029720) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID47029720
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H25N3O2S/c24-20(16-26-15-17-4-3-7-21-12-17)22-13-18-5-1-2-6-19(18)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-16H2,(H,22,24)
InChIKeyMCGRXAMFDYLFOM-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31443488
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55746930
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
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 47029720) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is MCGRXAMFDYLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-20(16-26-15-17-4-3-7-21-12-17)22-13-18-5-1-2-6-19(18)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-16H2,(H,22,24).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47029720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).