2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride

C19H19ClN2O3S — CID 67511124

IUPAC2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride
SMILESCOc1cccc(OCC(=O)N(Cc2cccs2)c2ccc[nH+]c2)c1.[Cl-]
InChIInChI=1S/C19H18N2O3S.ClH/c1-23-16-6-2-7-17(11-16)24-14-19(22)21(13-18-8-4-10-25-18)15-5-3-9-20-12-15;/h2-12H,13-14H2,1H3;1H
InChIKeyGFGUONGFIWFKQF-UHFFFAOYSA-N
MW390.89 g/mol
LogP0.19
Rot. Bonds7

About 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride

2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride (PubChem CID 67511124) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride
PubChem CID67511124
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride
SMILESCOc1cccc(OCC(=O)N(Cc2cccs2)c2ccc[nH+]c2)c1.[Cl-]
InChIInChI=1S/C19H18N2O3S.ClH/c1-23-16-6-2-7-17(11-16)24-14-19(22)21(13-18-8-4-10-25-18)15-5-3-9-20-12-15;/h2-12H,13-14H2,1H3;1H
InChIKeyGFGUONGFIWFKQF-UHFFFAOYSA-N
XLogP0.19
TPSA52.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974
2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 118492311
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
2-(3-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 9457328
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 163476137
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-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride?
The IUPAC name of 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride (CID 67511124) is 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride is COc1cccc(OCC(=O)N(Cc2cccs2)c2ccc[nH+]c2)c1.[Cl-].
What is the InChIKey of 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride?
The InChIKey is GFGUONGFIWFKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S.ClH/c1-23-16-6-2-7-17(11-16)24-14-19(22)21(13-18-8-4-10-25-18)15-5-3-9-20-12-15;/h2-12H,13-14H2,1H3;1H.
What are the key properties of 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride?
2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride has a molecular weight of 390.89 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride is sourced from PubChem (CID 67511124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).