2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C22H30N2O3S — CID 17014747

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C22H30N2O3S/c1-16(2)18-7-6-17(3)13-20(18)27-15-22(25)23-14-19(21-5-4-12-28-21)24-8-10-26-11-9-24/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,23,25)
InChIKeyUHECUVXECQUYAJ-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.75
Rot. Bonds8

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 17014747) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID17014747
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C22H30N2O3S/c1-16(2)18-7-6-17(3)13-20(18)27-15-22(25)23-14-19(21-5-4-12-28-21)24-8-10-26-11-9-24/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,23,25)
InChIKeyUHECUVXECQUYAJ-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 17014747) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is UHECUVXECQUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16(2)18-7-6-17(3)13-20(18)27-15-22(25)23-14-19(21-5-4-12-28-21)24-8-10-26-11-9-24/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 17014747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).