4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide

C22H28N2O6S — CID 4853918

IUPAC4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H28N2O6S/c1-2-29-20-9-3-4-10-21(20)30-14-6-11-22(25)23-18-7-5-8-19(17-18)31(26,27)24-12-15-28-16-13-24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,23,25)
InChIKeyPWKULPFHYWBCLT-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.90
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide

4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 4853918) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID4853918
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H28N2O6S/c1-2-29-20-9-3-4-10-21(20)30-14-6-11-22(25)23-18-7-5-8-19(17-18)31(26,27)24-12-15-28-16-13-24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,23,25)
InChIKeyPWKULPFHYWBCLT-UHFFFAOYSA-N
XLogP2.90
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide (CID 4853918) is 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is PWKULPFHYWBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-2-29-20-9-3-4-10-21(20)30-14-6-11-22(25)23-18-7-5-8-19(17-18)31(26,27)24-12-15-28-16-13-24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,23,25).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 448.54 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 4853918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).