4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide

C23H30N2O7S — CID 4688141

IUPAC4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1
InChIInChI=1S/C23H30N2O7S/c1-3-31-18-6-8-19(9-7-18)32-14-4-5-23(26)24-21-17-20(10-11-22(21)29-2)33(27,28)25-12-15-30-16-13-25/h6-11,17H,3-5,12-16H2,1-2H3,(H,24,26)
InChIKeyLVJIJTYAZPHMRK-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.91
Rot. Bonds11

About 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide

4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 4688141) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID4688141
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC Name4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1
InChIInChI=1S/C23H30N2O7S/c1-3-31-18-6-8-19(9-7-18)32-14-4-5-23(26)24-21-17-20(10-11-22(21)29-2)33(27,28)25-12-15-30-16-13-25/h6-11,17H,3-5,12-16H2,1-2H3,(H,24,26)
InChIKeyLVJIJTYAZPHMRK-UHFFFAOYSA-N
XLogP2.91
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.91
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

3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24981047
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896741
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26065401
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide (CID 4688141) is 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide is CCOc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is LVJIJTYAZPHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-3-31-18-6-8-19(9-7-18)32-14-4-5-23(26)24-21-17-20(10-11-22(21)29-2)33(27,28)25-12-15-30-16-13-25/h6-11,17H,3-5,12-16H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide?
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 478.57 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 4688141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).