2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide

C19H24ClN2O3S+ — CID 9094142

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-11-15(20)4-5-17(14)25-13-19(23)21-12-16(18-3-2-10-26-18)22-6-8-24-9-7-22/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,21,23)/p+1/t16-/m0/s1
InChIKeyAUEKHLYOROJXHY-INIZCTEOSA-O
MW395.93 g/mol
LogP1.86
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 9094142) has the molecular formula C19H24ClN2O3S+ and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
PubChem CID9094142
Molecular FormulaC19H24ClN2O3S+
Molecular Weight395.93 g/mol
Exact Mass395.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-11-15(20)4-5-17(14)25-13-19(23)21-12-16(18-3-2-10-26-18)22-6-8-24-9-7-22/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,21,23)/p+1/t16-/m0/s1
InChIKeyAUEKHLYOROJXHY-INIZCTEOSA-O
XLogP1.86
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 9094162
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide
CID 8799658
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2087247
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 7217183
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161893
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide
CID 8799674
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496961
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide (CID 9094142) is 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is AUEKHLYOROJXHY-INIZCTEOSA-O. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-11-15(20)4-5-17(14)25-13-19(23)21-12-16(18-3-2-10-26-18)22-6-8-24-9-7-22/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,21,23)/p+1/t16-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 395.93 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 9094142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).