2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide

C23H20N2O3S2 — CID 31841903

IUPAC2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C23H20N2O3S2/c26-23(25(15-20-5-3-13-29-20)16-21-6-4-14-30-21)17-27-18-8-10-19(11-9-18)28-22-7-1-2-12-24-22/h1-14H,15-17H2
InChIKeyCMGGIHJQHGTOMS-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.60
Rot. Bonds9

About 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide

2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide (PubChem CID 31841903) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
PubChem CID31841903
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C23H20N2O3S2/c26-23(25(15-20-5-3-13-29-20)16-21-6-4-14-30-21)17-27-18-8-10-19(11-9-18)28-22-7-1-2-12-24-22/h1-14H,15-17H2
InChIKeyCMGGIHJQHGTOMS-UHFFFAOYSA-N
XLogP5.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 30805544
pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739782
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877751
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86920381
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide (CID 31841903) is 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
The InChIKey is CMGGIHJQHGTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c26-23(25(15-20-5-3-13-29-20)16-21-6-4-14-30-21)17-27-18-8-10-19(11-9-18)28-22-7-1-2-12-24-22/h1-14H,15-17H2.
What are the key properties of 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide?
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 31841903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).