2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide

C20H20N2O2S — CID 17012481

IUPAC2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1
InChIInChI=1S/C20H20N2O2S/c1-15-10-16(2)12-17(11-15)24-14-20(23)22(13-18-6-5-9-25-18)19-7-3-4-8-21-19/h3-12H,13-14H2,1-2H3
InChIKeyMUNNAANCQRVDAV-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.37
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide

2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17012481) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17012481
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1
InChIInChI=1S/C20H20N2O2S/c1-15-10-16(2)12-17(11-15)24-14-20(23)22(13-18-6-5-9-25-18)19-7-3-4-8-21-19/h3-12H,13-14H2,1-2H3
InChIKeyMUNNAANCQRVDAV-UHFFFAOYSA-N
XLogP4.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649
2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974
1-pyridin-2-yl-1-(thiophen-2-ylmethyl)hydrazine
CID 70449715
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 17011724
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
CID 146661408
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 17012481) is 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MUNNAANCQRVDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-15-10-16(2)12-17(11-15)24-14-20(23)22(13-18-6-5-9-25-18)19-7-3-4-8-21-19/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17012481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).