2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C19H24N2O3S — CID 17014737

IUPAC2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C19H24N2O3S/c1-15-4-2-5-16(12-15)24-14-19(22)20-13-17(18-6-3-11-25-18)21-7-9-23-10-8-21/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,20,22)
InChIKeyNKXPNXLXZLFDLT-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.63
Rot. Bonds7

About 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 17014737) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID17014737
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C19H24N2O3S/c1-15-4-2-5-16(12-15)24-14-19(22)20-13-17(18-6-3-11-25-18)21-7-9-23-10-8-21/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,20,22)
InChIKeyNKXPNXLXZLFDLT-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 17014737) is 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is Cc1cccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is NKXPNXLXZLFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-4-2-5-16(12-15)24-14-19(22)20-13-17(18-6-3-11-25-18)21-7-9-23-10-8-21/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 17014737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).