N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide

C19H23N3O2S — CID 36949894

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H23N3O2S/c23-19(15-25-18-5-7-20-8-6-18)21-13-16-1-3-17(4-2-16)14-22-9-11-24-12-10-22/h1-8H,9-15H2,(H,21,23)
InChIKeyMKBBNLFSCMDPJK-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.32
Rot. Bonds7

About N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 36949894) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID36949894
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H23N3O2S/c23-19(15-25-18-5-7-20-8-6-18)21-13-16-1-3-17(4-2-16)14-22-9-11-24-12-10-22/h1-8H,9-15H2,(H,21,23)
InChIKeyMKBBNLFSCMDPJK-UHFFFAOYSA-N
XLogP2.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694567
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17464976
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446247
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide (CID 36949894) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is MKBBNLFSCMDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-19(15-25-18-5-7-20-8-6-18)21-13-16-1-3-17(4-2-16)14-22-9-11-24-12-10-22/h1-8H,9-15H2,(H,21,23).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 357.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 36949894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).