2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C19H23ClN2O3S — CID 18150783

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-5-15(20)17(11-14)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)
InChIKeyOJYFZDWBIVYKAC-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 18150783) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID18150783
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-5-15(20)17(11-14)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)
InChIKeyOJYFZDWBIVYKAC-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 18150783) is 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is Cc1ccc(Cl)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is OJYFZDWBIVYKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-4-5-15(20)17(11-14)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).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 18150783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).