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

C22H31ClN2O3S — CID 52984965

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1.Cl
InChIInChI=1S/C22H30N2O3S.ClH/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);1H
InChIKeyYQOXXHOPWUJZGI-UHFFFAOYSA-N
MW439.02 g/mol
LogP4.17
Rot. Bonds8

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

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride (PubChem CID 52984965) has the molecular formula C22H31ClN2O3S and a molecular weight of 439.02 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride
PubChem CID52984965
Molecular FormulaC22H31ClN2O3S
Molecular Weight439.02 g/mol
Exact Mass438.17
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1.Cl
InChIInChI=1S/C22H30N2O3S.ClH/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);1H
InChIKeyYQOXXHOPWUJZGI-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.02
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35042165
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
2-(3-methoxyphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 30834421
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(4-acetylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17405367
2-(4-ethylphenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 34951723
3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 30606558
2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 31419969
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(4-nitrophenoxy)acetamide
CID 17014744

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;hydrochloride?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride (CID 52984965) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride is Cc1ccc(C(C)C)c(OCC(=O)NCC(c2cccs2)N2CCOCC2)c1.Cl.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride?
The InChIKey is YQOXXHOPWUJZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S.ClH/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);1H.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride has a molecular weight of 439.02 g/mol, XLogP of 4.17, 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;hydrochloride is sourced from PubChem (CID 52984965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).