4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide

C22H28N2O6S — CID 3667102

IUPAC4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C22H28N2O6S/c1-4-29-21-15-20(24-10-12-28-13-11-24)22(30-5-2)14-19(21)23-31(26,27)18-8-6-17(7-9-18)16(3)25/h6-9,14-15,23H,4-5,10-13H2,1-3H3
InChIKeyFRRLVFXXFQZCKS-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.32
Rot. Bonds9

About 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide

4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 3667102) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID3667102
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C22H28N2O6S/c1-4-29-21-15-20(24-10-12-28-13-11-24)22(30-5-2)14-19(21)23-31(26,27)18-8-6-17(7-9-18)16(3)25/h6-9,14-15,23H,4-5,10-13H2,1-3H3
InChIKeyFRRLVFXXFQZCKS-UHFFFAOYSA-N
XLogP3.32
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide (CID 3667102) is 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is FRRLVFXXFQZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-4-29-21-15-20(24-10-12-28-13-11-24)22(30-5-2)14-19(21)23-31(26,27)18-8-6-17(7-9-18)16(3)25/h6-9,14-15,23H,4-5,10-13H2,1-3H3.
What are the key properties of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 448.54 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3667102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).