2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C22H30N2O3S — CID 24979455

IUPAC2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)17-6-8-18(9-7-17)27-16-21(25)23-15-19(20-5-4-14-28-20)24-10-12-26-13-11-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H,23,25)
InChIKeyBXUZVTYNKIZBNZ-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 24979455) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID24979455
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)17-6-8-18(9-7-17)27-16-21(25)23-15-19(20-5-4-14-28-20)24-10-12-26-13-11-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H,23,25)
InChIKeyBXUZVTYNKIZBNZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 24979455) is 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is CC(C)(C)c1ccc(OCC(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is BXUZVTYNKIZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-22(2,3)17-6-8-18(9-7-17)27-16-21(25)23-15-19(20-5-4-14-28-20)24-10-12-26-13-11-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 24979455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).