N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide

C20H25N3O3S — CID 119941150

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)CC3CSCCN3)ccn2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-25-17-3-5-18(6-4-17)26-20-11-15(7-8-22-20)13-23-19(24)12-16-14-27-10-9-21-16/h3-8,11,16,21H,2,9-10,12-14H2,1H3,(H,23,24)
InChIKeyCUXHLIVXKVERAK-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.98
Rot. Bonds8

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941150) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941150
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)CC3CSCCN3)ccn2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-25-17-3-5-18(6-4-17)26-20-11-15(7-8-22-20)13-23-19(24)12-16-14-27-10-9-21-16/h3-8,11,16,21H,2,9-10,12-14H2,1H3,(H,23,24)
InChIKeyCUXHLIVXKVERAK-UHFFFAOYSA-N
XLogP2.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide;trihydrochloride
CID 119942599
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 119847525
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937835
N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 62997538
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119941150) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide is CCOc1ccc(Oc2cc(CNC(=O)CC3CSCCN3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is CUXHLIVXKVERAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-25-17-3-5-18(6-4-17)26-20-11-15(7-8-22-20)13-23-19(24)12-16-14-27-10-9-21-16/h3-8,11,16,21H,2,9-10,12-14H2,1H3,(H,23,24).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 387.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).