2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide

C24H32N2O6S — CID 133234913

IUPAC2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O6S/c1-4-23(32-21-16-18(2)15-19(3)17-21)24(27)25-9-12-31-20-5-7-22(8-6-20)33(28,29)26-10-13-30-14-11-26/h5-8,15-17,23H,4,9-14H2,1-3H3,(H,25,27)
InChIKeyUZWZFGHCQVTZIB-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.68
Rot. Bonds10

About 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide

2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide (PubChem CID 133234913) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide
PubChem CID133234913
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O6S/c1-4-23(32-21-16-18(2)15-19(3)17-21)24(27)25-9-12-31-20-5-7-22(8-6-20)33(28,29)26-10-13-30-14-11-26/h5-8,15-17,23H,4,9-14H2,1-3H3,(H,25,27)
InChIKeyUZWZFGHCQVTZIB-UHFFFAOYSA-N
XLogP2.68
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.68
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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Related Compounds

2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 4928494
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234915
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]butanamide
CID 133234719
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234771
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076
2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240632
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
CID 133240484

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide (CID 133234913) is 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide?
The InChIKey is UZWZFGHCQVTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-4-23(32-21-16-18(2)15-19(3)17-21)24(27)25-9-12-31-20-5-7-22(8-6-20)33(28,29)26-10-13-30-14-11-26/h5-8,15-17,23H,4,9-14H2,1-3H3,(H,25,27).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide?
2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide has a molecular weight of 476.60 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133234913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).