2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C22H28N2O6S2 — CID 42998392

IUPAC2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(OCCSCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H28N2O6S2/c1-2-29-19-6-8-20(9-7-19)30-14-15-31-17-22(25)23-18-4-3-5-21(16-18)32(26,27)24-10-12-28-13-11-24/h3-9,16H,2,10-15,17H2,1H3,(H,23,25)
InChIKeyPESWLFHBGBCFLP-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.86
Rot. Bonds11

About 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 42998392) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID42998392
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(OCCSCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H28N2O6S2/c1-2-29-19-6-8-20(9-7-19)30-14-15-31-17-22(25)23-18-4-3-5-21(16-18)32(26,27)24-10-12-28-13-11-24/h3-9,16H,2,10-15,17H2,1H3,(H,23,25)
InChIKeyPESWLFHBGBCFLP-UHFFFAOYSA-N
XLogP2.86
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 55315274
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 17070440
[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 42969863
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 55696713
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43055778
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55313139
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 39951682
N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 16530319
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 42998392) is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is CCOc1ccc(OCCSCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is PESWLFHBGBCFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c1-2-29-19-6-8-20(9-7-19)30-14-15-31-17-22(25)23-18-4-3-5-21(16-18)32(26,27)24-10-12-28-13-11-24/h3-9,16H,2,10-15,17H2,1H3,(H,23,25).
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 480.61 g/mol, XLogP of 2.86, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 42998392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).