N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

C19H18N2O3S — CID 87004197

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)s1
InChIInChI=1S/C19H18N2O3S/c1-14-5-10-17(25-14)12-21-18(22)13-23-15-6-8-16(9-7-15)24-19-4-2-3-11-20-19/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyAXPQBPWYPFWZDL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.94
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 87004197) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID87004197
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)s1
InChIInChI=1S/C19H18N2O3S/c1-14-5-10-17(25-14)12-21-18(22)13-23-15-6-8-16(9-7-15)24-19-4-2-3-11-20-19/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyAXPQBPWYPFWZDL-UHFFFAOYSA-N
XLogP3.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36631288
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 30901572
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
(2,3,6-trimethylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30765960

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 87004197) is N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is Cc1ccc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is AXPQBPWYPFWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-14-5-10-17(25-14)12-21-18(22)13-23-15-6-8-16(9-7-15)24-19-4-2-3-11-20-19/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 87004197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).