2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide

C18H17N3O2S — CID 71995335

IUPAC2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Oc2ccccn2)c1)NCc1cccs1
InChIInChI=1S/C18H17N3O2S/c22-17(21-12-16-7-4-10-24-16)13-20-14-5-3-6-15(11-14)23-18-8-1-2-9-19-18/h1-11,20H,12-13H2,(H,21,22)
InChIKeyUJDBFMLXSXYOOG-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.66
Rot. Bonds7

About 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 71995335) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID71995335
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Oc2ccccn2)c1)NCc1cccs1
InChIInChI=1S/C18H17N3O2S/c22-17(21-12-16-7-4-10-24-16)13-20-14-5-3-6-15(11-14)23-18-8-1-2-9-19-18/h1-11,20H,12-13H2,(H,21,22)
InChIKeyUJDBFMLXSXYOOG-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 37474298
N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
CID 75518345
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 30717585
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 71995335) is 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1cccc(Oc2ccccn2)c1)NCc1cccs1.
What is the InChIKey of 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UJDBFMLXSXYOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(21-12-16-7-4-10-24-16)13-20-14-5-3-6-15(11-14)23-18-8-1-2-9-19-18/h1-11,20H,12-13H2,(H,21,22).
What are the key properties of 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 71995335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).