3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

C23H32N2O3S — CID 24980930

IUPAC3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCC(C)(C)c1ccc(OCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C23H32N2O3S/c1-23(2,3)18-6-8-19(9-7-18)28-13-10-22(26)24-17-20(21-5-4-16-29-21)25-11-14-27-15-12-25/h4-9,16,20H,10-15,17H2,1-3H3,(H,24,26)
InChIKeyCRTUQWGGZDTMTH-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.00
Rot. Bonds8

About 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 24980930) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID24980930
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCC(C)(C)c1ccc(OCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C23H32N2O3S/c1-23(2,3)18-6-8-19(9-7-18)28-13-10-22(26)24-17-20(21-5-4-16-29-21)25-11-14-27-15-12-25/h4-9,16,20H,10-15,17H2,1-3H3,(H,24,26)
InChIKeyCRTUQWGGZDTMTH-UHFFFAOYSA-N
XLogP4.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (CID 24980930) is 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is CC(C)(C)c1ccc(OCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is CRTUQWGGZDTMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-23(2,3)18-6-8-19(9-7-18)28-13-10-22(26)24-17-20(21-5-4-16-29-21)25-11-14-27-15-12-25/h4-9,16,20H,10-15,17H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 416.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 24980930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).