2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

C19H24N2O3S — CID 16931622

IUPAC2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCOc1cccc(OCC(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C19H24N2O3S/c1-23-16-5-4-6-17(11-16)24-13-19(22)20-12-18(15-7-10-25-14-15)21-8-2-3-9-21/h4-7,10-11,14,18H,2-3,8-9,12-13H2,1H3,(H,20,22)
InChIKeyJHIYXZRNSZKJHT-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.09
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 16931622) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID16931622
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCOc1cccc(OCC(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C19H24N2O3S/c1-23-16-5-4-6-17(11-16)24-13-19(22)20-12-18(15-7-10-25-14-15)21-8-2-3-9-21/h4-7,10-11,14,18H,2-3,8-9,12-13H2,1H3,(H,20,22)
InChIKeyJHIYXZRNSZKJHT-UHFFFAOYSA-N
XLogP3.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (CID 16931622) is 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is COc1cccc(OCC(=O)NCC(c2ccsc2)N2CCCC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is JHIYXZRNSZKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-23-16-5-4-6-17(11-16)24-13-19(22)20-12-18(15-7-10-25-14-15)21-8-2-3-9-21/h4-7,10-11,14,18H,2-3,8-9,12-13H2,1H3,(H,20,22).
What are the key properties of 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 16931622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).